SCHEMBL7727183

SCHEMBL7727183

Nc1ccc(Cl)c(C=C(Cl)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
ESR2 Q92731 1/20 0.38
PTPN1 P18031 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HSD17B10 Q99714 4/20 0.37
THRB P10828 3/20 0.37
RECQL P46063 3/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 2/20 0.37
CASP1 P29466 2/20 0.37
CCR2 P41597 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL7727179 1.00 CYP3A4 (0.41) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL9763394 0.81 AKR1C3 (0.42) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL9551024 0.81 GAA (0.41) CYP3A4TSHRMAPTALDH1A1GAA
SCHEMBL9551025 0.81 GAA (0.41) CYP3A4TSHRMAPTALDH1A1GAA
SCHEMBL7089765 0.77 LMNA (0.40) CYP3A4TSHRMAPTALDH1A1HPGD
SCHEMBL7018839 0.77 LMNA (0.40) CYP3A4TSHRMAPTALDH1A1HPGD
SCHEMBL6098478 0.74 TRPA1 (0.48) MAPTALDH1A1RECQLHPGDMEN1
SCHEMBL6098480 0.74 TRPA1 (0.48) MAPTALDH1A1RECQLHPGDMEN1
SCHEMBL9385744 0.74 NPSR1 (0.50) CYP3A4TSHRMAPTALDH1A1KDM4E
SCHEMBL9385750 0.74 NPSR1 (0.50) CYP3A4TSHRMAPTALDH1A1KDM4E

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
US-6365753-B1 EXCELLENT PREFERENTIAL EFFECTS ON WEEDS; GRASSES; NONPHYTOTOXIC TO CROPS E.G. WHEAT; BARLEY; CORN MITSUBISHI CHEMICAL CORPORATION (JP) 2002-04-02 US disclosed
EP-1097923-A1 PHTHALIMIDES AND HERBICIDE CONTAINING THE SAME AS ACTIVE COMPONENT MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-09 EP disclosed