SCHEMBL9303086

SCHEMBL9303086

CC(C)(Oc1ccc(NC(=O)Nc2ccc(Cl)cc2Cl)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
PPARA Q07869 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C19 P33261 2/20 0.57
HRH3 Q9Y5N1 1/20 0.56
GRIK1 P39086 2/20 0.52
FABP2 P12104 1/20 0.51
PPARG P37231 1/20 0.51
SLC22A12 Q96S37 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ATM Q13315 2/20 0.51
PDGFRA P16234 1/20 0.50
KDR P35968 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL9303663 0.90 MEN1 (0.57) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL806016 0.90 PPARA (0.50) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL16743448 0.89 MAPT (0.49) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL9131125 0.88 PPARA (0.52) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL29361873 0.87 PPARA (0.48) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL9561356 0.85 MAPT (0.67) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL1305271 0.85 CA1 (0.58) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL1305388 0.84 TRPV1 (0.54) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL1306107 0.83 PPARA (0.60) MAPTKMT2AMEN1PPARACYP1A2
SCHEMBL805971 0.83 PPARA (0.61) MAPTKMT2AMEN1PPARACYP1A2

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