SCHEMBL8772935

SCHEMBL8772935

COc1ccc(NC(Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 2/20 0.44
▸ PPARG P37231 2/20 0.41
▸ LDHA P00338 1/20 0.40
▸ ITGB1 P05556 2/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ PTGDR Q13258 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL8772938 1.00 FPR2 (0.44) FPR2PPARGLDHAITGB1ITGA4
SCHEMBL7357707 0.86 PPARG (0.36) PPARGITGB1ITGA4SMN1; SMN2KMT2A
SCHEMBL11208659 0.84 PPARG (0.40) PPARGITGB1ITGA4NPC1RAB9A
SCHEMBL11208660 0.84 PPARG (0.40) PPARGITGB1ITGA4NPC1RAB9A
SCHEMBL8772939 0.83 LDHA (0.45) FPR2PPARGLDHAPKMNPC1
SCHEMBL9830744 0.83 CA2 (0.54) FPR2PPARGITGB1RAB9AKMT2A
SCHEMBL9830731 0.83 CA2 (0.54) FPR2PPARGITGB1RAB9AKMT2A
SCHEMBL9830940 0.81 ATM (0.53) ITGA4
SCHEMBL9830929 0.81 ATM (0.53) ITGA4
SCHEMBL29086848 0.80 TRHDE (0.43) PPARGNPC1RAB9ASMN1; SMN2CYP1A2

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
EP-0799022-A1 USE OF FLAVONOIDS FOR PROTECTING UNSTABLE COSMETIC ACTIVE SUBSTANCES AND CONSTITUENTS IN COSMETIC AND DERMATOLOGICAL FORMULATIONS Beiersdorf Aktiengesellschaft (DE) 1997-10-08 — — EP disclosed
WO-1996018380-A1 USE OF FLAVONOIDS FOR PROTECTING UNSTABLE COSMETIC ACTIVE SUBSTANCES AND CONSTITUENTS IN COSMETIC AND DERMATOLOGICAL FORMULATIONS BEIERSDORF AG (DE) 1996-06-20 — — WO disclosed
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