SCHEMBL4432201

SCHEMBL4432201

COc1ccccc1-c1cc(C(F)(F)F)c[c]c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.41
TP53 P04637 1/20 0.39
PTPN5 P54829 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
STK10 O94804 1/20 0.39
SLK Q9H2G2 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 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
SCHEMBL3409117 0.84 HTT (0.42) CETPTP53PTPN5PGRAR
SCHEMBL5085397 0.79 HTR7 (0.41) KDM4EHPGDALDH1A1APP
SCHEMBL4432205 0.74 AR (0.45) TP53PTPN5PGRARAKR1C3
SCHEMBL15637636 0.72 APP (0.44) TP53HSD17B10KDM4EHPGDLMNA
SCHEMBL4395172 0.71 GPR3 (0.33) PTPN5
SCHEMBL9696764 0.71 PDE2A (0.44) CETPTP53PTPN5PGRAR
SCHEMBL3409120 0.70 AR (0.46) TP53PTPN5PGRARAKR1C3
SCHEMBL5295496 0.68 TRPV1 (0.55) PTPN5PGRARAKR1C3AKR1C2
SCHEMBL29786814 0.68 TRPV1 (0.55) PTPN5PGRARAKR1C3AKR1C2
SCHEMBL15637229 0.68 HTT (0.42) PTPN5PGRARAKR1C3AKR1C2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed