SCHEMBL11827938

SCHEMBL11827938

Cc1ccc(CCC(Cl)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ DPP4 P27487 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ PLAAT3 P53816 1/20 0.40
▸ PLAAT5 Q96KN8 1/20 0.40
▸ PLAAT2 Q9NWW9 1/20 0.40
▸ PLAAT4 Q9UL19 1/20 0.40
▸ CTBP2 P56545 1/20 0.40

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
SCHEMBL11835552 0.85 PPARG (0.47) L3MBTL1PPARGPPARAS1PR1ALDH1A1
SCHEMBL11826787 0.85 ALDH1A1 (0.47) TDP1L3MBTL1PPARGPPARATAAR1
SCHEMBL27808300 0.83 ANPEP (0.43) PPARGPPARAALDH1A1
SCHEMBL9492547 0.83 PPARG (0.51) FFAR1PPARGPPARATAAR1
SCHEMBL3433828 0.82 PPARG (0.50) TDP1PPARGPPARACYP1A2SMN1; SMN2
SCHEMBL7372199 0.82 PPARG (0.50) TDP1PPARGPPARACYP1A2SMN1; SMN2
SCHEMBL11823101 0.82 PTGS2 (0.54) —
SCHEMBL11828893 0.82 ALDH1A1 (0.61) S1PR1S1PR5SMN1; SMN2ALDH1A1
SCHEMBL11837707 0.82 ALDH1A1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL12400797 0.81 FFAR1 (0.47) FFAR1TDP1L3MBTL1DPP4CYP1A2

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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