SCHEMBL8566451

SCHEMBL8566451

COc1ccc(COC(=O)CCC2(C(=O)c3ccccc3)CCCCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8569113 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL8571445 0.76 ALDH1A1 (0.43) FABP7FABP5CHRM5CHRM1CHRM3
SCHEMBL8568639 0.72 ALDH1A1 (0.44) MAPTALDH1A1
SCHEMBL3732372 0.71 ALDH1A1 (0.59) MAPTKMT2AALDH1A1
SCHEMBL26023562 0.70 MAPT (0.68) CHRM5CHRM1CHRM3MAPTATM
SCHEMBL305162 0.70 MAPT (0.68) CHRM5CHRM1CHRM3MAPTATM
SCHEMBL16321874 0.69 ALDH1A1 (0.57) FABP7FABP5MAPTATMKMT2A
SCHEMBL2842512 0.69 KMT2A (0.71) FABP7FABP5MAPTATMKMT2A
SCHEMBL3727515 0.69 FFAR1 (0.60) FABP7FABP5ATMKMT2AALDH1A1
SCHEMBL5689482 0.68 ALDH1A1 (0.67) MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35865-E Preparation of glutaric acid derivatives PFIZER INC. (US) 1998-07-28 US disclosed
US-5714628-A CARBOXYLATION A CYCLOHEXANONES TO A CYCLOPENTANECARBOXYLIC ACIDS WITH HYDROGEN PEROXIDE PFIZER, INC. (US) 1998-02-03 US disclosed
EP-0391673-B2 Preparation of glutaric acid derivatives PFIZER LTD (GB) 1997-04-02 EP disclosed
US-5166406-A Peroxidation of cyclohexanone derivatives PFIZER INC. (US) 1992-11-24 US disclosed
EP-0391673-A1 Preparation of glutaric acid derivatives Pfizer Limited (GB) 1990-10-10 EP disclosed