SCHEMBL9846381

SCHEMBL9846381

COC=C(C(=O)O)c1ccccc1CSC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL9846376 1.00 PPARG (0.32) PPARGPPARAL3MBTL1ALDH1A1LMNA
SCHEMBL9846356 0.84 ALDH1A1 (0.35) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL9846353 0.84 ALDH1A1 (0.35) L3MBTL1ALDH1A1LMNACA12CA1
SCHEMBL9846352 0.82 CYP1A2 (0.39) ALDH1A1CYP2C19
SCHEMBL9846354 0.82 CYP1A2 (0.39) ALDH1A1CYP2C19
SCHEMBL8814746 0.78 IDO1 (0.33) ALDH1A1LMNA
SCHEMBL9846346 0.78 ALDH1A1 (0.40) PPARGPPARAL3MBTL1ALDH1A1LMNA
SCHEMBL8814742 0.78 IDO1 (0.33) ALDH1A1LMNA
SCHEMBL9846351 0.78 ALDH1A1 (0.40) PPARGPPARAL3MBTL1ALDH1A1LMNA
SCHEMBL9846361 0.77 CYP1A2 (0.38) ALDH1A1LMNACYP2C19GAA

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
EP-0416746-A2 Fungicides containing an alkoxycarbonylvinyl group or an alkyloxyimino group AGREVO UK LIMITED (GB) 1991-03-13 EP disclosed