SCHEMBL9425972

SCHEMBL9425972

CCN(C)C(=O)CCc1ccc2c(c1)OOC2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK8 P49336 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
RAB9A P51151 1/20 0.34
APP P05067 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10752702 0.81 CYP3A4 (0.43) TRPM8RAB9AL3MBTL1
SCHEMBL7835653 0.79 FFAR1 (0.43) TRPM8
SCHEMBL9425976 0.77 TRPM8 (0.62) TRPM8KMT2ARAB9A
SCHEMBL9424396 0.77 ALOX5 (0.40) KMT2A
SCHEMBL9425935 0.74 HPGD (0.49) KMT2A
SCHEMBL9425697 0.73 HPGD (0.54) KMT2A
SCHEMBL9137648 0.72 TAAR1 (0.32)
SCHEMBL9425790 0.72 HPGD (0.53) KMT2ARAB9A
SCHEMBL4673253 0.72 ALDH1A1 (0.36) RAB9AL3MBTL1
SCHEMBL9579912 0.70 KDM4E (0.36) KMT2AL3MBTL1

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-5338745-A Alzheimer's disease MITSUI TOATSU CHEMICALS, INCORPORATION (JP) 1994-08-16 US disclosed
EP-0495998-A1 DIHYDROCAFFEIC ACID AMIDE DERIVATIVE AND APPLICATION THEREOF AS MEDICINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-07-29 EP disclosed