SCHEMBL8965419

SCHEMBL8965419

CC(c1ccc(OCc2cscn2)cc1)c1cc(C(=O)O)ccc1C=NOC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.48
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL8965356 0.99 ALOX5 (0.49) ALOX5RXRARXRBMRGPRX4
SCHEMBL8965251 0.83 ALOX5 (0.60) ALOX5HDAC6
SCHEMBL8965411 0.79 ALOX5 (0.47) ALOX5HDAC6
SCHEMBL8965347 0.79 ALOX5 (0.48) ALOX5HDAC6
SCHEMBL8965414 0.72 ALOX5 (0.52) ALOX5RXRARXRB
SCHEMBL8965350 0.71 ALOX5 (0.53) ALOX5
SCHEMBL8801742 0.71 ALOX5 (0.53) ALOX5HDAC6
SCHEMBL16621263 0.70 NR4A2 (0.53) ALOX5RXRARXRB
SCHEMBL8799338 0.66 ALOX5 (0.52) ALOX5
SCHEMBL8799899 0.65 ALOX5 (0.64) 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