SCHEMBL8016587

SCHEMBL8016587

CCC(c1ccc(C(C)(C)C)cc1)C(OB(OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)C(CC)c1ccc(C(C)(C)C)cc1)OC(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)C(CC)c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.36
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ATM Q13315 1/20 0.33
GPR35 Q9HC97 1/20 0.33
TSHR P16473 2/20 0.32
APP P05067 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TYR P14679 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL8016591 0.87 LMNA (0.35) GRIA4LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL8006468 0.85 IDO1 (0.32) LMNAALDH1A1HPGD
SCHEMBL5528717 0.85 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTTSHRCA1
SCHEMBL4530142 0.81 LMNA (0.37) LMNAMAPK1NPC1TSHRCYP1A2
SCHEMBL29157607 0.74 ALDH1A1 (0.32) LMNAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL1618141 0.73 MIF (0.38) ALDH1A1MAPK1SMN1; SMN2NPC1MAPT
SCHEMBL8006470 0.73 LMNA (0.33) LMNAALDH1A1HPGDCYP1A2CYP3A4
SCHEMBL25409960 0.73 LMNA (0.39) GRIA4LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL13965561 0.73 GRIA4 (0.41) GRIA4LMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL8019378 0.71 MMP13 (0.37) ALDH1A1MAPK1TSHRCYP1A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed
US-6090865-A PHOTOINITIATOR SYSTEM COMPRISING (A) AT LEAST ONE O-ALKYLATED AROMATIC NITROGEN-HETEROCYCLE AMINE OXIDE CATION SALT AND (B) AT LEAST ONE ELECTRON DONOR COMPOUND. CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-18 US disclosed
EP-0896587-A1 POLYMERISABLE COMPOSITION Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
WO-1997042227-A1 POLYMERISABLE COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-13 WO disclosed