SCHEMBL8965790

SCHEMBL8965790

O=C(O)C1(C(c2ccc(OCc3nc4ccccc4s3)cc2)C2CCCCC2)NO1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.61
EPHX2 P34913 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5AP P20292 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8965783 0.99 ALOX5 (0.59) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8965837 0.82 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL8800278 0.82 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL8965337 0.81 ALOX5 (0.61) ALOX5HDAC6
SCHEMBL8964963 0.81 ALOX5 (0.67) ALOX5HDAC6
SCHEMBL9564300 0.80 ALOX5 (0.67) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8800408 0.78 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8800571 0.78 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8800494 0.78 ALOX5 (0.61) ALOX5EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL8965348 0.77 ALOX5 (0.57) ALOX5HDAC6

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-5512581-A ANTIINFLAMMATORY AGENT ABBOTT LABORATORIES (US) 1996-04-30 US disclosed