SCHEMBL11033799

SCHEMBL11033799

CCC(O)C(Oc1ccccc1)(Oc1ccc(C(F)(F)F)cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.45
LIPE Q05469 6/20 0.44
HPGD P15428 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 2/20 0.41
FFAR1 O14842 1/20 0.41
RAB9A P51151 1/20 0.40
XBP1 P17861 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL11034222 0.85 MAPK1 (0.45) MAPK1LMNALIPEHPGDMRGPRX4
SCHEMBL8303082 0.78 LIPE (0.49) MAPK1LMNALIPEHPGDMRGPRX4
SCHEMBL10482504 0.74 MAPK1 (0.45) MAPK1LMNALIPEHPGDMRGPRX4
SCHEMBL524840 0.73 LMNA (0.47) MAPK1LMNALIPEHPGDMRGPRX4
SCHEMBL201045 0.72 LMNA (0.50) LMNALIPEHPGDMRGPRX4CNR1
SCHEMBL10667998 0.72 LMNA (0.44) MAPK1LMNALIPEHPGDMRGPRX4
Hydrochloric Acid SCHEMBL199908 0.71 LMNA (0.49) LMNALIPEHPGDMRGPRX4CNR1
SCHEMBL11033806 0.71 CETP (0.35) LMNACNR1CNR2GAA
SCHEMBL6378216 0.70 PPARG (0.39) LMNAHTT
SCHEMBL10482502 0.70 LIPE (0.48) MAPK1LMNALIPEHPGDMRGPRX4

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-0146835-A2 Synergistic herbicidal compositions STAUFFER CHEMICAL COMPANY (US) 1985-07-03 EP disclosed