SCHEMBL7545786

SCHEMBL7545786

COc1ccc(CO[C@@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.53
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 2/20 0.46
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
ANPEP P15144 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL7545793 1.00 LDHA (0.53) LDHAPPARAPPARGNPC1POLB
SCHEMBL31513588 0.84 LDHA (0.56) LDHAPPARAPPARGNPC1POLB
SCHEMBL21121968 0.84 LDHA (0.56) LDHAPPARAPPARGNPC1POLB
SCHEMBL4043400 0.84 PSMB5 (0.56) PPARAPPARGCTSKPPARD
SCHEMBL4043403 0.84 PSMB5 (0.56) PPARAPPARGCTSKPPARD
SCHEMBL4704738 0.83 MME (0.47) PPARAPPARGFFAR1CTSKPPARD
SCHEMBL7541731 0.83 PPARG (0.63) PPARAPPARGMMP2
SCHEMBL31021101 0.83 LDHA (0.54) LDHAPPARAPPARGNPC1POLB
SCHEMBL7541726 0.83 PPARG (0.63) PPARAPPARGMMP2
SCHEMBL5870279 0.82 PPARG (0.55) PPARAPPARGPPARD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed