SCHEMBL8689307

SCHEMBL8689307

N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.72
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
ALDH1A1 P00352 3/20 0.60
TSHR P16473 2/20 0.60
MAPK10 P53779 2/20 0.60
HSD17B10 Q99714 1/20 0.60
TRPM4 Q8TD43 1/20 0.60
HIF1A Q16665 1/20 0.60
EPAS1 Q99814 1/20 0.60
NPC1 O15118 4/20 0.57
RAB9A P51151 3/20 0.57
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.55
HPGD P15428 2/20 0.53

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
SCHEMBL6032429 0.87 HCAR2 (0.81) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL15209901 0.86 ALDH1A1 (0.59) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL8943790 0.86 HCAR2 (0.79) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL5696427 0.85 HCAR2 (0.78) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL8689332 0.84 HCAR2 (1.00) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL4912964 0.84 NPC1 (0.80) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL4915695 0.84 HCAR2 (0.76) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL18510324 0.84 NPC1 (0.80) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL4914608 0.84 HCAR2 (0.76) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL15647016 0.83 KMT2A (0.68) HCAR2KMT2AMEN1CASP3SENP8

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-5741926-A ANTIDIABETIC AGENT SHAMAN PHARMACEUTICALS, INC. (US) 1998-04-21 US disclosed
WO-1997030019-A1 ANILINE DERIVATIVES HAVING ANTIHYPERGLYCEMIC ACTIVITY SHAMAN PHARMACEUTICALS, INC. (US) 1997-08-21 WO disclosed