SCHEMBL9303083

SCHEMBL9303083

CC(C)(Oc1ccc(N(C(N)=O)c2ccc(Cl)cc2Cl)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
PPARG P37231 4/20 0.50
FABP2 P12104 2/20 0.50
SLC22A12 Q96S37 1/20 0.50
PDE5A O76074 1/20 0.44
MAP4K4 O95819 1/20 0.44
KCNH2 Q12809 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
PPARD Q03181 3/20 0.41
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 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
SCHEMBL9303656 0.91 PPARA (0.56) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL9131119 0.88 PPARA (0.51) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1305267 0.85 PPARA (0.55) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1305384 0.85 PSEN1 (0.46) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL2581150 0.83 PPARA (0.57) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1304906 0.82 PPARA (0.54) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1304561 0.81 PPARA (0.52) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1305526 0.81 PPARA (0.52) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1304994 0.81 PPARA (0.52) PPARACYP1A2CYP3A4MEN1CYP2D6
SCHEMBL1305897 0.81 PPARA (0.49) PPARACYP1A2CYP3A4MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292935-A Carboxyalkoxy-substituted diphenylurea MONTEFIORE MEDICAL CENTER (US) 1994-03-08 US disclosed
US-5093367-A Arylureidophenoxymethylpropionic acids which have activity in dissociation of oxygen from hemoglobin MONTEFIORE MEDICAL CENTER (US) 1992-03-03 US disclosed
EP-0420930-A4 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES 1991-12-04 EP disclosed
EP-0420930-A1 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES LALEZARI, Iraj (US) 1991-04-10 EP disclosed
US-4921997-A Method of synthesis and novel compounds for pharmaceutical uses MONTEFIORE MEDICAL CENTER (US) 1990-05-01 US disclosed
WO-1989012622-A1 METHOD OF SYNTHESIS AND NOVEL COMPOUNDS FOR PHARMACEUTICAL USES LALEZARI IRAJ (US) 1989-12-28 WO disclosed