SCHEMBL16374497

SCHEMBL16374497

O=C(O)CSc1ccc(CI)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.61
▸ ALDH1A1 P00352 1/20 0.58
▸ GAA P10253 1/20 0.51
▸ CTSB P07858 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ DUSP3 P51452 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ APEX1 P27695 1/20 0.44
▸ CYP2C19 P33261 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CXCL12 P48061 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CDC25B P30305 1/20 0.39
▸ PHGDH O43175 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL3103776 0.82 FFAR1 (0.63) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL11084513 0.80 FFAR1 (0.61) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL8676125 0.79 FFAR1 (0.65) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL3892694 0.77 FFAR1 (0.57) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL991241 0.77 FFAR1 (0.68) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL74365 0.76 FFAR1 (1.00) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL17285630 0.75 FFAR1 (0.65) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL1286277 0.75 FFAR1 (0.65) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL1660160 0.75 FFAR1 (0.65) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL883102 0.75 FFAR1 (0.65) FFAR1ALDH1A1GAACTSBELANE

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-8927717-B1 Thiochromeno[2,3-c]quinolin-12-one derivatives, preparation method and application thereof NATIONAL DEFENSE MEDICAL CENTER (TW) 2015-01-06 — — US disclosed
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