SCHEMBL11594657

SCHEMBL11594657

COc1ccc(NC(=O)c2ccc(C)cc2O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.66
RAB9A P51151 6/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CASP3 P42574 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
PLG P00747 3/20 0.64
KLK1 P06870 2/20 0.64
KLK6 Q92876 2/20 0.64
KLKB1 P03952 1/20 0.64
F2 P00734 1/20 0.63
F10 P00742 1/20 0.63
PLAU P00749 1/20 0.63
PLAT P00750 1/20 0.63
PNLIP P16233 2/20 0.62
ALOX15 P16050 2/20 0.60
POLB P06746 1/20 0.57
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55

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
SCHEMBL14363181 0.88 NPC1 (0.66) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL2272830 0.87 KLKB1 (0.69) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL10489747 0.84 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL10489750 0.84 NPC1 (0.60) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5383984 0.84 KLKB1 (0.66) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL12521437 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL14514566 0.81 PLG (0.67) NPC1RAB9AMEN1KMT2APLG
SCHEMBL5222453 0.81 RAF1 (0.60) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL5080078 0.80 PNLIP (0.91) NPC1RAB9AMEN1KMT2ACASP3
SCHEMBL2048865 0.79 NPC1 (1.00) NPC1RAB9AMEN1KMT2ACASP3

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-4072753-A DERMATITIS, MULTIPLE SCLEROSIS, BENZANILIDES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1978-02-07 US disclosed
US-4032635-A BENZANILIDE DERIVATIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1977-06-28 US disclosed