SCHEMBL9274396

SCHEMBL9274396

CC(C)c1cccc(C(C)C)c1NC(=O)NC1CCC2CCCCC2C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
TRPV1 Q8NER1 1/20 0.50
EPHX1 P07099 2/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL9273953 0.92 EPHX2 (0.60) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9267546 0.92 EPHX2 (0.60) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9273652 0.92 EPHX2 (0.60) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9265695 0.80 EPHX2 (0.49) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9271224 0.80 EPHX2 (0.49) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9273423 0.78 EPHX2 (0.61) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9265827 0.77 TRPV1 (0.53) EPHX2TRPV1
SCHEMBL9271744 0.77 EPHX2 (0.60) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9269179 0.77 EPHX2 (0.60) EPHX2EPHX1KMT2AMEN1TDP1
SCHEMBL9269185 0.77 EPHX2 (0.60) EPHX2EPHX1KMT2AMEN1TDP1

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-5420164-A Enzyme inhibitors YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
EP-0507291-A1 Cyclohexylurea compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-10-07 EP disclosed