SCHEMBL11828893

SCHEMBL11828893

CCCCc1ccc(CCC(Cl)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ RARB P10826 2/20 0.51
▸ S1PR1 P21453 5/20 0.51
▸ S1PR2 O95136 3/20 0.51
▸ S1PR3 Q99500 4/20 0.50
▸ THRA P10827 2/20 0.49
▸ THRB P10828 2/20 0.49
▸ PLK1 P53350 1/20 0.47
▸ S1PR4 O95977 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ S1PR5 Q9H228 1/20 0.46
▸ TRPV1 Q8NER1 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL11837564 0.95 ALDH1A1 (0.62) ALDH1A1HPGDHSD17B10RARBS1PR1
SCHEMBL11835552 0.89 PPARG (0.47) ALDH1A1HPGDHSD17B10S1PR1S1PR2
SCHEMBL9008888 0.86 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10RARBTHRA
SCHEMBL11826787 0.86 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10S1PR1S1PR2
SCHEMBL11827938 0.82 FFAR1 (0.45) ALDH1A1S1PR1S1PR5SMN1; SMN2
SCHEMBL9492547 0.80 PPARG (0.51) HSD17B10
SCHEMBL27808300 0.80 ANPEP (0.43) ALDH1A1HPGDHSD17B10
SCHEMBL3433828 0.80 PPARG (0.50) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL7372199 0.80 PPARG (0.50) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11823101 0.79 PTGS2 (0.54) RARB

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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