SCHEMBL10674580

SCHEMBL10674580

O=C(NCCCc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
POLB P06746 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
HTT P42858 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NLRP1 Q9C000 1/20 0.62
SYK P43405 1/20 0.61
MLYCD O95822 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HSP90AA1 P07900 1/20 0.59
EPHX2 P34913 1/20 0.57

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
SCHEMBL4930583 0.87 NPC1 (0.64) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL24440484 0.84 HDAC6 (0.60) POLBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29633482 0.84 HDAC6 (0.60) POLBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4930568 0.83 HSP90AA1 (0.61) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL18619400 0.82 HDAC6 (0.58) NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL3225126 0.82 NPC1 (1.00) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL5988764 0.82 HSP90AA1 (0.60) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL5989428 0.82 HSP90AA1 (0.67) NPC1RAB9APOLBKDM4EALDH1A1
SCHEMBL11094833 0.81 ERCC1 (0.71) RAB9AALDH1A1HPGDHSD17B10SYK
SCHEMBL2956025 0.81 NPC1 (0.68) NPC1RAB9APOLBKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4725598-A Derivative of dihydroxybenzamide and a pharmaceutical composition having an anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1988-02-16 US claimed
EP-0142241-B1 DIHYDROXYBENZAMIDE DERIVATIVES HAVING ANTI-INFLAMMATORY ACTIVITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-12-02 EP claimed
EP-0142241-A1 Dihydroxybenzamide derivatives having anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-22 EP claimed
EP-0142241-A1 Dihydroxybenzamide derivatives having anti-inflammatory activity KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-05-22 EP disclosed