SCHEMBL13166122

SCHEMBL13166122

COC(=O)CC(NC(=O)C(F)(F)F)C(=O)NCc1ccc(Oc2ccc(OC)cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.41
PRMT6 Q96LA8 4/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
FFAR1 O14842 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ACACB O00763 1/20 0.38
PTPN7 P35236 1/20 0.38
DUSP3 P51452 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
SCHEMBL13165783 0.89 CARM1 (0.40) CARM1PRMT6FFAR1ACACB
SCHEMBL13165799 0.82 KLKB1 (0.45) CARM1PRMT6ALDH1A1TP53L3MBTL1
SCHEMBL13166120 0.79 ALDH1A1 (0.45) ALDH1A1TP53FFAR1L3MBTL1MEN1
SCHEMBL13165750 0.79 FFAR1 (0.42) ALDH1A1TP53FFAR1L3MBTL1PTPN7
SCHEMBL13165743 0.77 ANPEP (0.53) CARM1PRMT6ALDH1A1MEN1KMT2A
SCHEMBL13165617 0.77 ACACB (0.51) CARM1PRMT6MEN1KMT2AACACB
SCHEMBL10121390 0.76 ALDH1A1 (0.43) ALDH1A1FFAR1L3MBTL1POLBPTPN7
Trifluoroacetic Acid SCHEMBL2789683 0.76 CARM1 (0.45) CARM1PRMT6FFAR1L3MBTL1
SCHEMBL13165753 0.76 CA12 (0.54) ALDH1A1POLB
SCHEMBL13165754 0.75 PSMB5 (0.46) CARM1PRMT6ALDH1A1TP53MEN1

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
WO-2010097374-A1 COMPOUNDS FOR USE AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed