SCHEMBL9508192

SCHEMBL9508192

CCCCCCCCCCCCCc1ccc(C(=O)N(CCCC(=O)O)OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.52
THRB P10828 7/20 0.52
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 3/20 0.51
S1PR2 O95136 2/20 0.51
RARB P10826 5/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
RARA P10276 1/20 0.50
MAPT P10636 1/20 0.50
MTOR P42345 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9506192 0.90 THRA (0.52) THRATHRBRARBALDH1A1MEN1
SCHEMBL9508245 0.90 THRA (0.52) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504727 0.83 THRA (0.56) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL9508843 0.80 PPARG (0.45) ALDH1A1MAPTKMT2A
SCHEMBL9508849 0.80 PPARG (0.45) ALDH1A1MAPTKMT2A
SCHEMBL9506106 0.80 THRA (0.54) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL9504783 0.79 THRA (0.51) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504771 0.78 THRA (0.54) THRATHRBRARBALDH1A1MEN1
SCHEMBL9504622 0.78 THRA (0.52) THRATHRBRARBALDH1A1MEN1
SCHEMBL25167617 0.78 S1PR1 (0.71) S1PR1S1PR3S1PR2ALDH1A1MEN1

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
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed