SCHEMBL2546589

SCHEMBL2546589

CCCC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OC(=O)C(C(=O)O)(C1CC(C)(C)N(C)C(C)(C)C1)C1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.35
GAA P10253 4/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
LMNA P02545 2/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1345179 0.84 IDH1 (0.33) GAAPKMHTTKMT2AMEN1
SCHEMBL9157712 0.80 GAA (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL1768973 0.80 HMGCR (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL1892399 0.78 HMGCR (0.34) HMGCRGAAPKMHTTKMT2A
SCHEMBL537219 0.78 GAA (0.35) HMGCRGAAPKMHTTKMT2A
SCHEMBL9784228 0.77 GPR55 (0.32) GAAPKMHTTKMT2AMEN1
SCHEMBL2546593 0.75 GAA (0.38) HMGCRGAAPKMHTTKMT2A
SCHEMBL6875064 0.75 GAA (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL697946 0.74 HMGCR (0.36) HMGCRGAAPKMHTTKMT2A
SCHEMBL28556085 0.73 ALDH1A1 (0.43) GAAPKMHTTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953595-A1 UV light stabilized polyester molding composition HOECHST CELANESE CORPORATION (US) 1999-11-03 EP claimed
US-5025048-A Oxygen resistant, storage-stable curable polysiloxanes hydrosilated by a polycyclic polyene and a compound containing an amine and a hydroxy, both sterically hindered HERCULES INCORPORATED (US) 1991-06-18 US claimed
EP-2121111-B1 APPLICATORS FOR MICRONEEDLE ARRAYS CORIUM INT INC (US) 2018-03-14 EP disclosed
US-9259504-B2 Non-electrically conductive hydrogel composition A. V. Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences (RU) 2016-02-16 US disclosed
US-9242021-B2 Adhesive composition CORIUM INTERNATIONAL, INC. (US) 2016-01-26 US disclosed
US-8821446-B2 Applicators for microneedles CORIUM INTERNATIONAL, INC. (US) 2014-09-02 US disclosed
US-8821901-B2 Method of preparing polymeric adhesive compositions utilizing the mechanism of interaction between the polymer components A.V. TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS RUSSIAN ACADEMY OF SCIENCES (RU) 2014-09-02 US disclosed
US-8753669-B2 Two-phase, water-absorbent bioadhesive composition A.V. TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS, RUSSIAN ACADEMY OF SCIENCES (RU) 2014-06-17 US disclosed
US-8728445-B2 Hydrogel Compositions A.V. TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS, RUSSIAN ACADEMY OF SCIENCES (RU) 2014-05-20 US disclosed
US-20130261526-A1 HYDROGEL COMPOSITIONS CORIUM INTERNATIONAL, INC. (US) 2013-10-03 US disclosed
US-8481059-B2 Hydrogel compositions A.V. TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS, RUSSIAN ACADEMY OF SCIENCES (RU) 2013-07-09 US disclosed
US-5298536-A Residues of one silicon-containing compound and at least one polycylic polyene compound linked through carbon-silicon bond HERCULES INCORPORATED (US) 1994-03-29 US disclosed
US-5254655-A Made by hydrosilation of cyclic polysiloxanes and carbon-carbon bond-containing dye HERCULES INCORPORATED (US) 1993-10-19 US disclosed
US-5242979-A ORGANOSILICON COMPOSITIONS CONTAINING HYDROCARBON ELASTOMERS HERCULES INCORPORATED (US) 1993-09-07 US disclosed
EP-0556844-A2 Flame retardant organosilicon polymer composition, process for making same, and article produced therefrom HERCULES INCORPORATED (US) 1993-08-25 EP disclosed
EP-0554904-A2 Organosilicon polymers, and dyes, exhibiting nonlinear optical response HERCULES INCORPORATED (US) 1993-08-11 EP disclosed
EP-0534206-A1 Organosilicon polymers HERCULES INCORPORATED (US) 1993-03-31 EP disclosed
US-5171817-A Containing polycyclic polyenes HERCULES INCORPORATED (US) 1992-12-15 US disclosed
US-5025048-A Oxygen resistant, storage-stable curable polysiloxanes hydrosilated by a polycyclic polyene and a compound containing an amine and a hydroxy, both sterically hindered HERCULES INCORPORATED (US) 1991-06-18 US disclosed
US-5008360-A Organosilicon materials HERCULES INCORPORATED (US) 1991-04-16 US disclosed