SCHEMBL8795359

SCHEMBL8795359

CC1(C)CCC(C)(C)c2cc(CC/C=C(\CO)c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.40
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CYP26B1 Q9NR63 2/20 0.36
CYP26A1 O43174 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CES2 O00748 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACP3 P15309 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
S1PR1 P21453 1/20 0.33
GRK5 P34947 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
SCHEMBL8795367 1.00 PLA2G4A (0.40) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8796319 0.87 CYP26B1 (0.47) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8796315 0.87 CYP26B1 (0.47) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8796322 0.87 CYP26B1 (0.47) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8795259 0.86 PLA2G4A (0.43) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8795256 0.86 PLA2G4A (0.43) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8795252 0.86 PLA2G4A (0.43) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8796087 0.86 PLA2G4A (0.42) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8796080 0.86 PLA2G4A (0.42) PLA2G4ARXRARXRBRXRGCYP26B1
SCHEMBL8795910 0.86 PLA2G4A (0.42) PLA2G4ARXRARXRBRXRGCYP26B1

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