SCHEMBL9653202

SCHEMBL9653202

CC(=O)/C(C(=O)C(C)(C)C)=C(/O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 1/20 0.40
KIF18A Q8NI77 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL9653207 1.00 HPGD (0.45) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9650831 0.82 HPGD (0.45) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9650836 0.82 HPGD (0.45) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9650709 0.81 TSHR (0.50) FLT1FLT4KDRMAPK1SMN1; SMN2
SCHEMBL9650715 0.81 TSHR (0.50) FLT1FLT4KDRMAPK1SMN1; SMN2
SCHEMBL9650708 0.80 VCAM1 (0.45) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9650710 0.80 VCAM1 (0.45) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9652133 0.79 VCAM1 (0.44) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9650793 0.79 VCAM1 (0.44) HPGDCYP1A2CYP3A4CYP2C19FLT1
SCHEMBL9653321 0.79 VCAM1 (0.44) HPGDCYP1A2CYP3A4CYP2C19FLT1

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-0213892-B1 HERBICIDALLY ACTIVE ENOLS ROHM AND HAAS COMPANY (US) 1992-03-25 EP disclosed
US-4781750-A Herbicidally active enols ROHM AND HAAS COMPANY (US) 1988-11-01 US disclosed