SCHEMBL9754316

SCHEMBL9754316

CC(c1ccc(Oc2ccccc2)cc1)c1nc(O)c(-c2ccccc2)s1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.48
ACACB O00763 2/20 0.39
ACACA Q13085 2/20 0.39
SRD5A2 P31213 1/20 0.38
LTA4H P09960 1/20 0.37
NR1H2 P55055 1/20 0.37
BAX Q07812 1/20 0.37
MCL1 Q07820 2/20 0.36

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
SCHEMBL9754071 0.83 ALOX5 (0.53) ALOX5
SCHEMBL9754000 0.81 ALOX5 (0.46) ALOX5
SCHEMBL9754190 0.74 ALOX5 (0.49) ALOX5
SCHEMBL25969457 0.71 LTA4H (0.57) ACACBACACASRD5A2LTA4HNR1H2
SCHEMBL9754025 0.68 ALOX5 (0.43) ALOX5
SCHEMBL9803529 0.68 ALOX5 (0.43) ALOX5
SCHEMBL9629437 0.65 ALOX5 (1.00) ALOX5
SCHEMBL9629574 0.65 ALOX5 (1.00) ALOX5
SCHEMBL4368301 0.64 SRD5A2 (0.55) ACACBACACASRD5A2LTA4HNR1H2
SCHEMBL1954803 0.64 ALOX5 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed