SCHEMBL8776134

SCHEMBL8776134

CC(C)(C)C1CCC2(CC1)CC(=O)OC(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.44
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8776167 0.80 CYP2C9 (0.42) ATMCYP1A2CYP2D6ALDH1A1ALOX15
SCHEMBL9408451 0.78 ATM (0.42) ATMCYP1A2CYP2D6ALDH1A1ALOX15
SCHEMBL13593718 0.78 ESR2 (0.34)
SCHEMBL24132476 0.73 CYP1A2 (0.48) ATMCYP1A2CYP2D6ALDH1A1ALOX15
SCHEMBL286913 0.73 TSHR (0.42) CYP2C9
SCHEMBL6513894 0.73
SCHEMBL8608582 0.73 ATM (0.38) ATMCYP1A2CYP2D6ALDH1A1ALOX15
SCHEMBL13593724 0.72 CYP1A2 (0.42) CYP1A2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6519607 0.71 CA1 (0.30)
SCHEMBL13423998 0.70 OPRM1 (0.42) ATMCYP1A2CYP2D6ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570263-B1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR (FR) 1997-12-03 EP disclosed
US-5436343-A Thromboxane A2 receptor antagonist, thromoboxane A2 synthase inhibitor ADIR ET COMPAGNIE (FR) 1995-07-25 US disclosed
EP-0570263-A1 New alkene carboxylic acid derivatives, process for their preparation and pharmaceutic compositions containing them ADIR ET COMPAGNIE (FR) 1993-11-18 EP disclosed