SCHEMBL8795992

SCHEMBL8795992

CC1(C)CCC(C)(C)c2cc3cc(C=C(CO)c4cccc(C(F)(F)F)c4)ccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.46
NQO2 P16083 1/20 0.39
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
RARA P10276 2/20 0.36
CES2 O00748 1/20 0.35
RXRA P19793 1/20 0.34
MAOB P27338 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HDAC4 P56524 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL8795983 1.00 PLA2G4A (0.46) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL8796153 0.84 PLA2G4A (0.51) PLA2G4ANQO2POLBKDM4ERARB
SCHEMBL8796157 0.84 PLA2G4A (0.51) PLA2G4ANQO2POLBKDM4ERARB
SCHEMBL8796190 0.83 PLA2G4A (0.48) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL8796204 0.83 PLA2G4A (0.48) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL8796110 0.82 PLA2G4A (0.46) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL8795959 0.82 PLA2G4A (0.60) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL8795946 0.82 PLA2G4A (0.60) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL8795740 0.81 PLA2G4A (0.53) PLA2G4ANQO2POLBKDM4EMAPT
SCHEMBL9259750 0.81 PLA2G4A (0.53) PLA2G4ANQO2POLBKDM4EMAPT

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-0629604-B1 Alicyclic phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-04-16 EP disclosed
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