SCHEMBL6307976

SCHEMBL6307976

CCCCC=COC(=O)c1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TSHR P16473 9/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 4/20 0.46
MAPK1 P28482 3/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C9 P11712 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALOX15 P16050 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
CA2 P00918 1/20 0.40

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
SCHEMBL6307972 1.00 ALDH1A1 (0.50) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL28820065 0.93 ALDH1A1 (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27553393 0.88 ALDH1A1 (0.55) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL3637873 0.85 LMNA (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL31110234 0.85 LMNA (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL404921 0.85 LMNA (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29356105 0.85 LMNA (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL404922 0.85 LMNA (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL29483333 0.85 LMNA (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL7101896 0.84 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939835-B2 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH SA (CH) 2005-09-06 US disclosed
EP-1169292-B1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH & CIE (CH) 2004-11-24 EP disclosed
US-20030148901-A1 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH SA (CH) 2003-08-07 US disclosed
US-6589921-B2 Such as 3,7-dimethyl-6-octenyl-2-formylbenzoate for after-shave lotion, cosmetics, soaps, shampoo/conditioners, other hair care products, bath/shower gels, foam baths, deodorants, air fresheners, detergents, or fabric softener FIRMENICH SA (CH) 2003-07-08 US disclosed
US-20020169087-A1 Cyclic compounds and their use as precursors of fragrant alcohols FIRMENICH S.A 2002-11-14 US disclosed
US-20020032132-A1 Cyclic compounds and their use as precursors of fragrant alcohols ANTARES CAPITAL CORPORATION, AS AGENT 2002-03-14 US disclosed
EP-1169292-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS Firmenich S.A. (CH) 2002-01-09 EP disclosed
WO-2000058260-A1 CYCLIC COMPOUNDS AND THEIR USE AS PRECURSORS OF FRAGRANT ALCOHOLS FIRMENICH S.A. (CH) 2000-10-05 WO disclosed