SCHEMBL5696409

SCHEMBL5696409

O=C(Cc1ccc(Oc2ccccc2)cc1)Nc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
GAA P10253 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
KDM4E B2RXH2 5/20 0.59
LMNA P02545 2/20 0.59
PKM P14618 1/20 0.57
HCAR2 Q8TDS4 3/20 0.54
KDM6B O15054 1/20 0.53
KDM4D Q6B0I6 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
PTGER4 P35408 1/20 0.52

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
SCHEMBL8044298 0.94 ALDH1A1 (0.60) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL8038280 0.94 ALDH1A1 (0.56) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL6408802 0.91 ALDH1A1 (0.60) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL6407408 0.90 MEN1 (0.66) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL6580909 0.90 HCAR2 (0.60) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL8027743 0.89 ALDH1A1 (0.56) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL5696445 0.88 ALDH1A1 (0.59) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL6401908 0.88 HCAR2 (0.67) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL8041236 0.88 PLK1 (0.61) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E
SCHEMBL8039697 0.87 ALDH1A1 (0.55) ALDH1A1L3MBTL1GAASMN1; SMN2KDM4E

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-1670749-A1 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-06-21 EP disclosed
WO-2005016870-A1 2-SUBSTITUTED BENZOIC ACID DERIVATIVES AS HM74A RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 WO disclosed