SCHEMBL8375540

SCHEMBL8375540

O=C(CCc1ccccc1)OO.O=C(NC1CCCCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
EPHX2 P34913 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
SGMS2 Q8NHU3 1/20 0.53
ALDH1A1 P00352 3/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PKM P14618 1/20 0.50

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
SCHEMBL4229605 0.83 NPC1 (0.65) EPHX1NPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL23594174 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5168314 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL24673320 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8396558 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL307051 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3747209 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6928283 0.79 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL161227 0.79 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8375457 0.77 KDM4E (0.55) NPC1RAB9ASMN1; SMN2OPRM1OPRD1

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
EP-0734377-B1 PERCARBOXYLIC ACIDS SOLVAY INTEROX LTD (GB) 1999-08-25 EP disclosed
US-5914303-A FOR BLEACHING, WASHING, DISINFECTING SOLVAY INTEROX LIMITED (GB) 1999-06-22 US disclosed
EP-0734377-A1 PERCARBOXYLIC ACIDS SOLVAY INTEROX LIMITED (GB) 1996-10-02 EP disclosed
WO-1995016673-A1 PERCARBOXYLIC ACIDS SOLVAY INTEROX LIMITED (GB) 1995-06-22 WO disclosed