SCHEMBL21573232

SCHEMBL21573232

O=C(NC(=O)NC1CCCCCC1)NC1CCCCCCCC1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 12/20 0.80
EPHX2 P34913 3/20 0.80
NPC1 O15118 2/20 0.80
RAB9A P51151 2/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
ALDH1A1 P00352 2/20 0.80
KDM4E B2RXH2 1/20 0.80
CYP3A4 P08684 1/20 0.80
MAPT P10636 1/20 0.64
ATM Q13315 1/20 0.62
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.56

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
SCHEMBL18760502 1.00 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557135 1.00 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557122 1.00 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557123 1.00 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18557134 1.00 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL18760506 1.00 EPHX1 (0.80) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308699 0.89 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL15093798 0.89 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL23960132 0.89 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL24308701 0.89 EPHX1 (1.00) EPHX1EPHX2NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019483-B1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2019-11-20 EP disclosed