SCHEMBL11233673

SCHEMBL11233673

CCOC(=O)CCSc1cccc(-c2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.43
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
DGAT1 O75907 1/20 0.38
PPARD Q03181 2/20 0.38
MEN1 O00255 1/20 0.38
BRCA1 P38398 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PPARA Q07869 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
RORC P51449 1/20 0.37
RORB Q92753 1/20 0.37

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
SCHEMBL1275937 0.80 HTT (0.44) L3MBTL1ALDH1A1POLBMRGPRX4KMT2A
SCHEMBL1274836 0.75 MEN1 (0.45) L3MBTL1MRGPRX4KMT2AMAPTDGAT1
SCHEMBL11264190 0.74 PRMT5 (0.45) L3MBTL1ALDH1A1MRGPRX4KMT2AMEN1
SCHEMBL13948874 0.72 MAPT (0.51) L3MBTL1ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL6464917 0.71 KDM4E (0.60) L3MBTL1ALDH1A1POLBMAPK1KMT2A
SCHEMBL1564004 0.71 SIRT2 (0.42) L3MBTL1ALDH1A1MRGPRX4KMT2AMAPT
SCHEMBL34474530 0.70 CYP4F2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2MRGPRX4KMT2A
SCHEMBL4833229 0.70 MAPT (0.45) L3MBTL1ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL24879103 0.70 MAPT (0.47) L3MBTL1ALDH1A1POLBMAPK1SMN1; SMN2
SCHEMBL5450459 0.70 MAPT (0.47) L3MBTL1ALDH1A1POLBMAPK1SMN1; SMN2

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-4349377-A Phenoxyphenylthioalkanecarboxylic acid amides and their use as herbicides and plant growth regulants CIBA-GEIGY CORPORATION (US) 1982-09-14 US disclosed