SCHEMBL9298052

SCHEMBL9298052

CCCCCc1cccc(NCC(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.57
▸ PPARG P37231 2/20 0.57
▸ S1PR1 P21453 5/20 0.55
▸ S1PR4 O95977 3/20 0.55
▸ S1PR5 Q9H228 3/20 0.55
▸ HDAC4 P56524 1/20 0.49
▸ MEF2D Q14814 1/20 0.49
▸ S1PR3 Q99500 2/20 0.48
▸ LPL P06858 2/20 0.48
▸ LIPG Q9Y5X9 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA4 P22748 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ FFAR1 O14842 1/20 0.46

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
SCHEMBL5289171 0.83 HPGD (0.54) HDAC4MEF2DALDH1A1CA12CA1
SCHEMBL2958385 0.81 S1PR1 (0.55) PPARAPPARGS1PR1S1PR4S1PR5
SCHEMBL10762816 0.81 S1PR1 (0.58) PPARAPPARGS1PR1S1PR4S1PR5
SCHEMBL11428645 0.80 ALDH1A1 (0.60) S1PR1S1PR3ALDH1A1
SCHEMBL10956825 0.80 ALDH1A1 (0.60) S1PR1S1PR3ALDH1A1
SCHEMBL10952015 0.80 ALDH1A1 (0.60) S1PR1S1PR3ALDH1A1
SCHEMBL10951825 0.80 ALDH1A1 (0.60) S1PR1S1PR3ALDH1A1
SCHEMBL5513033 0.80 ALDH1A1 (0.60) S1PR1S1PR3ALDH1A1
SCHEMBL5728257 0.80 FFAR1 (0.56) PPARAPPARGFFAR1
SCHEMBL9445945 0.80 S1PR1 (0.53) S1PR1S1PR4S1PR5S1PR3CA12

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-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 — — US disclosed
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