SCHEMBL8772939

SCHEMBL8772939

COc1ccc(CN[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ FPR2 P25090 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ VNN1 O95497 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ASPH Q12797 1/20 0.39
▸ KDM8 Q8N371 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PTPN1 P18031 1/20 0.39

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
SCHEMBL466341 0.85 GAA (0.40) RAB9AALDH1A1
SCHEMBL466340 0.85 GAA (0.40) RAB9AALDH1A1
SCHEMBL1643961 0.85 GAA (0.40) RAB9AALDH1A1
SCHEMBL8772938 0.83 FPR2 (0.44) LDHAKMT2APPARGFPR2NPC1
SCHEMBL8772935 0.83 FPR2 (0.44) LDHAKMT2APPARGFPR2NPC1
SCHEMBL9830929 0.83 ATM (0.53) HDAC8ALDH1A1PTPN1
SCHEMBL9830940 0.83 ATM (0.53) HDAC8ALDH1A1PTPN1
SCHEMBL9830744 0.81 CA2 (0.54) KMT2APPARGFPR2RAB9AALDH1A1
SCHEMBL9830731 0.81 CA2 (0.54) KMT2APPARGFPR2RAB9AALDH1A1
SCHEMBL6447871 0.81 SIRT2 (0.48) KMT2AALDH1A1

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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