SCHEMBL8776167

SCHEMBL8776167

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
LMNA P02545 1/20 0.42
ATM Q13315 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
GABRA6 Q16445 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
SCHEMBL8776134 0.80 ATM (0.44) CYP2C9ATMCYP1A2CYP2D6ALDH1A1
SCHEMBL4686790 0.73 LMNA (0.48) CYP2C9LMNAALDH1A1
SCHEMBL4687373 0.73 LMNA (0.48) CYP2C9LMNAALDH1A1
SCHEMBL4688167 0.73 LMNA (0.48) CYP2C9LMNAALDH1A1
SCHEMBL8608582 0.73 ATM (0.38) CYP2C9ATMCYP1A2CYP2D6ALDH1A1
SCHEMBL4687385 0.71 LMNA (0.47) CYP2C9LMNAALDH1A1
SCHEMBL22875371 0.71 CYP1A2 (0.57) ATMCYP1A2CYP2D6ALDH1A1ALOX15
SCHEMBL4688379 0.71 LMNA (0.47) CYP2C9LMNAALDH1A1
SCHEMBL9408451 0.71 ATM (0.42) CYP2C9LMNAATMCYP1A2CYP2D6
SCHEMBL24132476 0.70 CYP1A2 (0.48) CYP2C9ATMCYP1A2CYP2D6ALDH1A1

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