SCHEMBL6605779

SCHEMBL6605779

O=C1c2ccccc2C(=O)N1CC(C(=O)O)(C(=O)O)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
USP2 O75604 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
RECQL P46063 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL3783043 0.89 HPGD (0.45) HPGDGLAGAAMAPTCYP2C9
SCHEMBL6882644 0.86 MEN1 (0.47) HPGDGAAMAPTCYP2C9CYP2C19
SCHEMBL783445 0.76 GLA (0.55) HPGDGLAGAAMAPTCYP2C9
SCHEMBL6160194 0.75 KMT2A (0.53) HPGDGLAGAAMAPTCYP2C9
SCHEMBL6606281 0.73 KMT2A (0.54) HPGDGLAGAAMAPTCYP2C9
SCHEMBL783555 0.73 KMT2A (0.48) HPGDGLAGAAMAPTCYP2C9
SCHEMBL29000040 0.72 LMNA (0.53) HPGDGLAGAALMNAPOLB
SCHEMBL16711760 0.72 HPGD (0.50) HPGDGLAGAAMAPTCYP2C9
SCHEMBL16711763 0.72 HPGD (0.50) HPGDGLAGAAMAPTCYP2C9
SCHEMBL3779398 0.71 KMT2A (0.52) HPGDGLAGAAMAPTLMNA

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-1204323-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2004-07-14 EP disclosed