SCHEMBL17431311

SCHEMBL17431311

CCC(C(=O)O)c1csc2cc(OCc3cc(C(F)(F)F)nn3C)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.40
▸ PPARD Q03181 7/20 0.40
▸ PPARG P37231 4/20 0.40
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33

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
SCHEMBL17431471 0.87 FFAR1 (0.49) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL15212615 0.82 PPARD (0.61) PPARAPPARDPPARGFFAR1
SCHEMBL17431486 0.81 PPARD (0.46) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL15212601 0.80 PPARD (0.40) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL17431353 0.80 PPARA (0.42) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL15212694 0.80 PPARD (0.48) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL17431420 0.78 PPARD (0.53) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL17431333 0.78 PPARD (0.39) PPARAPPARDPPARG
SCHEMBL17431456 0.78 PPARD (0.52) PPARAPPARDPPARGMAPTALDH1A1
SCHEMBL17431488 0.78 PPARA (0.44) PPARAPPARDPPARGMAPTALDH1A1

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-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 — — US disclosed
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