SCHEMBL8965352

SCHEMBL8965352

N=C(C1CCCCC1)C(OCCC(=O)O)c1ccc(OCc2cscn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 16/20 0.51
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL8965327 0.99 ALOX5 (0.49) ALOX5MEN1NPC1LMNAHTT
SCHEMBL8967160 0.89 ALOX5 (0.48) ALOX5MEN1NPC1LMNAHTT
SCHEMBL8965298 0.81 ALOX5 (0.60) ALOX5HDAC6FFAR1
SCHEMBL8800737 0.80 ALOX5 (0.51) ALOX5MEN1NPC1LMNAHTT
SCHEMBL8801377 0.79 ALOX5 (0.50) ALOX5MEN1NPC1LMNAHTT
SCHEMBL8965945 0.71 ALOX5 (0.54) ALOX5HDAC6
SCHEMBL8799350 0.70 ALOX5 (0.60) ALOX5HDAC6
SCHEMBL8800909 0.69 ALOX5 (0.58) ALOX5MEN1KMT2AHDAC6
SCHEMBL8799902 0.69 ALOX5 (0.53) ALOX5HDAC6
SCHEMBL8800021 0.69 ALOX5 (0.58) 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