SCHEMBL9254004

SCHEMBL9254004

CC1(C)CCC(C)(C)c2cc3cc(C=C(C=CC(=O)O)c4cccc(C(=O)O)c4)ccc3cc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.69
RARB P10826 16/20 0.50
RARG P13631 15/20 0.50
RARA P10276 15/20 0.50
RXRA P19793 4/20 0.47
CYP26A1 O43174 3/20 0.47
CYP26B1 Q9NR63 1/20 0.47
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GMNN O75496 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL9254010 1.00 PLA2G4A (0.69) PLA2G4ARARBRARGRARARXRA
SCHEMBL9254001 1.00 PLA2G4A (0.69) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795228 1.00 PLA2G4A (0.69) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795410 1.00 PLA2G4A (0.69) PLA2G4ARARBRARGRARARXRA
SCHEMBL8794879 0.90 RARB (0.59) PLA2G4ARARBRARGRARARXRA
SCHEMBL9260234 0.90 RARB (0.59) PLA2G4ARARBRARGRARARXRA
SCHEMBL8796233 0.90 RARB (0.59) PLA2G4ARARBRARGRARARXRA
SCHEMBL9260227 0.90 RARB (0.59) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795796 0.89 PLA2G4A (0.56) PLA2G4ARARBRARGRARARXRA
SCHEMBL8795942 0.87 PLA2G4A (0.54) PLA2G4ARARBRARGRARARXRA

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 2 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