SCHEMBL7610342

SCHEMBL7610342

CC(=O)Oc1ccc(OC(F)(F)F)cc1C(=S)NCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.54
PTPN7 P35236 4/20 0.48
DUSP3 P51452 4/20 0.48
POLB P06746 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CASP3 P42574 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPK14 Q16539 1/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTPN1 P18031 2/20 0.41

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
SCHEMBL5462218 0.86 AKR1B1 (0.70) AKR1B1PTPN7DUSP3POLBMEN1
SCHEMBL27558982 0.85 AKR1B1 (0.54) AKR1B1PTPN7DUSP3POLBMEN1
SCHEMBL5470857 0.77 AKR1B1 (0.66) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL5483642 0.76 AKR1B1 (0.52) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL8889014 0.72 MAPT (0.47) MEN1KMT2AMAPTALDH1A1MAOA
SCHEMBL5457602 0.72 AKR1B1 (0.75) AKR1B1PTPN7DUSP3MEN1KMT2A
SCHEMBL3442245 0.71 PTPN1 (0.57) AKR1B1POLBMEN1KMT2AMAPT
SCHEMBL11821210 0.70 MEN1 (0.47) POLBMEN1KMT2AMAPTTP53
SCHEMBL5465148 0.70 AKR1B1 (1.00) AKR1B1PTPN7DUSP3MEN1KMT2A
SCHEMBL30791550 0.69 PTPN1 (0.61) POLBMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198451-A2 SUBSTITUTED PHENOXYACETIC ACIDS The Institutes for Pharmaceutical Discovery, LLC (US) 2002-04-24 EP disclosed
WO-2001000566-A2 SUBSTITUTED PHENOXYACETIC ACIDS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2001-01-04 WO disclosed