SCHEMBL8965166

SCHEMBL8965166

O=C(O)C1(C(CC2CCCC2)c2ccc(OCc3cscn3)cc2)NO1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.49
HDAC6 Q9UBN7 1/20 0.36
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
FFAR1 O14842 1/20 0.34
REN P00797 2/20 0.33
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
P2RX1 P51575 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL8965181 0.99 ALOX5 (0.51) ALOX5HDAC6MMP13MMP14FFAR1
SCHEMBL8965428 0.85 ALOX5 (0.55) ALOX5HDAC6MMP13MMP14
SCHEMBL8965348 0.84 ALOX5 (0.57) ALOX5HDAC6
SCHEMBL8964989 0.80 ALOX5 (0.61) ALOX5HDAC6
SCHEMBL8799902 0.76 ALOX5 (0.53) ALOX5HDAC6MMP13MMP14REN
SCHEMBL8800018 0.76 ALOX5 (0.50) ALOX5HDAC6MMP13MMP14REN
SCHEMBL8801528 0.76 ALOX5 (0.51) ALOX5HDAC6FFAR1RENCACNA1B
SCHEMBL8966886 0.71 ALOX5 (0.53) ALOX5FFAR1RENCACNA1B
SCHEMBL8799338 0.71 ALOX5 (0.52) ALOX5MMP13MMP14MAPK14NPC1
SCHEMBL8965414 0.70 ALOX5 (0.52) ALOX5

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