SCHEMBL9259747

SCHEMBL9259747

CC1(C)CCC(C)(C)c2cc3cc(/C=C(/C=C/C(=O)O)c4cccc(C(F)(F)F)c4)ccc3cc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.53
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
RARA P10276 3/20 0.41
MAOB P27338 2/20 0.41
CYP26A1 O43174 1/20 0.40
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.39
ALDH1A1 P00352 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CES2 O00748 1/20 0.38
ESR1 P03372 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL9259752 1.00 PLA2G4A (0.53) PLA2G4ARARBRARGRARAMAOB
SCHEMBL9259750 1.00 PLA2G4A (0.53) PLA2G4ARARBRARGRARAMAOB
SCHEMBL8795740 1.00 PLA2G4A (0.53) PLA2G4ARARBRARGRARAMAOB
SCHEMBL9259755 1.00 PLA2G4A (0.53) PLA2G4ARARBRARGRARAMAOB
SCHEMBL8796110 0.90 PLA2G4A (0.46) PLA2G4ARARBRARGRARAMAOB
SCHEMBL8796204 0.89 PLA2G4A (0.48) PLA2G4ARARBRARGRARAMAOB
SCHEMBL8796190 0.89 PLA2G4A (0.48) PLA2G4ARARBRARGRARAMAOB
SCHEMBL8795228 0.86 PLA2G4A (0.69) PLA2G4ARARBRARGRARACYP26A1
SCHEMBL9254004 0.86 PLA2G4A (0.69) PLA2G4ARARBRARGRARACYP26A1
SCHEMBL9254001 0.86 PLA2G4A (0.69) PLA2G4ARARBRARGRARACYP26A1

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-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US claimed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP claimed
US-5436369-A Alicyclic phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
EP-0629604-A2 Alicyclic phospholipase A2 inhibitors Bristol-Myers Company (US) 1994-12-21 EP disclosed