SCHEMBL11118429

SCHEMBL11118429

O=[N+]([O-])c1ccc(Cl)cc1P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
VCAM1 P19320 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDE7A Q13946 2/20 0.42
GPR35 Q9HC97 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 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
Ether SCHEMBL11149081 0.88 TSHR (0.45) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL10580550 0.86 MAPK1 (0.52) MAPK1TSHRALDH1A1VCAM1TDP1
Nitrophenolate SCHEMBL11130646 0.76 KCNMA1 (0.51) MAPK1TSHRALDH1A1CYP1A2CYP3A4
SCHEMBL11050246 0.75 ALDH1A1 (0.43) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL11050240 0.74 TSHR (0.47) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL1524058 0.74 MAPK1 (0.72) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL10957067 0.73 TSHR (0.46) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL3138248 0.73 MAPK1 (0.64) MAPK1TSHRALDH1A1LMNAPOLB
SCHEMBL914901 0.73 ALDH1A1 (0.48) TSHRALDH1A1TDP1GPR35
SCHEMBL31688378 0.73 ALDH1A1 (0.48) TSHRALDH1A1TDP1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0043801-B1 2-SUBSTITUTED 5-PHENOXY-PHENYL-PHOSPHINIC-ACID DERIVATIVES WITH HERBICIDAL ACTIVITY, PROCESS FOR PREPARING THEM, HERBICIDAL COMPOSITIONS CONTAINING THEM AND USE OF THESE ACTIVE SUBSTANCES AND COMPOSITIONS CIBA-GEIGY AG (CH) 1984-06-06 EP disclosed