SCHEMBL9504847

SCHEMBL9504847

CCCN(O)C(=O)c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
HDAC1 Q13547 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RCE1 Q9Y256 1/20 0.49

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
SCHEMBL9504721 0.90 THRA (0.63) ALOX5THRATHRB
SCHEMBL9504766 0.89 THRA (0.58) THRATHRB
SCHEMBL9504831 0.88 ALOX5 (0.51) ALOX5THRATHRBHDAC1HDAC6
SCHEMBL9508914 0.84 THRA (0.56) ALOX5THRATHRB
SCHEMBL28592135 0.84 HPGD (0.50) ALOX5HDAC1HDAC6
SCHEMBL9504560 0.83 THRA (0.58) THRATHRB
SCHEMBL9508859 0.83 THRA (0.61) THRATHRB
SCHEMBL9504798 0.83 THRA (0.58) THRATHRB
SCHEMBL9504692 0.83 THRA (0.58) THRATHRB
SCHEMBL9504638 0.83 ALOX5 (0.64) ALOX5HDAC1HDAC6RCE1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed