SCHEMBL8609779

SCHEMBL8609779

CC(C#Cc1cccc(C2=N[C@H](c3ccccc3)CO2)c1)N(O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 17/20 0.53
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
EPHX2 P34913 13/20 0.45
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4730488 0.83 ALOX5 (0.54) ALOX5EPHX2
SCHEMBL8610041 0.81 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL8309228 0.81 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL8309230 0.81 ALOX5 (0.51) ALOX5NPC1RAB9AEPHX2ALDH1A1
SCHEMBL8307138 0.80 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8303980 0.80 NPC1 (0.48) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL8941747 0.79 ALOX5 (0.53) ALOX5EPHX2
SCHEMBL8609455 0.76 NPC1 (0.43) ALOX5NPC1RAB9AALDH1A1MAPT
SCHEMBL4729170 0.75 NPC1 (0.45) ALOX5NPC1RAB9AALDH1A1MAPT
SCHEMBL8609409 0.75 NPC1 (0.45) ALOX5NPC1RAB9AALDH1A1MAPT

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
US-5814648-A N-hydroxyureas as antiinflammatory agents PFIZER INC. (US) 1998-09-29 US disclosed