SCHEMBL11224858

SCHEMBL11224858

O=C(Cl)C1(c2ccc(OC(F)(F)F)cc2)CC1(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
SLC6A4 P31645 9/20 0.40
SLC6A3 Q01959 6/20 0.38
SLC6A2 P23975 1/20 0.38
KMT2A Q03164 2/20 0.37
PDE2A O00408 1/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL11137595 0.88 EPHX2 (0.42) EPHX2SLC6A4SLC6A3SLC6A2KMT2A
Hydrochloric Acid SCHEMBL11225523 0.86 EPHX2 (0.41) EPHX2SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL11133721 0.79 EPHX2 (0.41) EPHX2SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL25010550 0.78 EPHX2 (0.45) EPHX2SLC6A4SLC6A3SLC6A2
SCHEMBL11137600 0.76 EPHX2 (0.41) EPHX2SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL31687641 0.75 SLC6A4 (0.46) EPHX2SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL10585508 0.75 NQO1 (0.44) KMT2AMEN1
SCHEMBL31687597 0.73 FFAR1 (0.43) EPHX2SLC6A4SLC6A3SLC6A2KMT2A
SCHEMBL31687632 0.72 PPARA (0.41) SLC6A4SLC6A3SLC6A2KMT2APDE2A
SCHEMBL1465617 0.69 KMT2A (0.48) EPHX2SLC6A4SLC6A3SLC6A2KMT2A

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
US-4360690-A Combating pests with 1-aryl-cyclopropane-1-carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed