SCHEMBL9425697

SCHEMBL9425697

CCCCCNC(=O)CCc1ccc2c(c1)OOC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.54
PYGL P06737 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL9425790 0.99 HPGD (0.53) HPGDPYGLTRPV1HSD17B10MEN1
SCHEMBL9425935 0.96 HPGD (0.49) HPGDPYGLTRPV1HSD17B10MEN1
SCHEMBL9425705 0.80 TRPV1 (0.60) HPGDTRPV1MEN1KMT2A
SCHEMBL9425794 0.79 TRPV1 (0.62) HPGDPYGLTRPV1HSD17B10MEN1
SCHEMBL11367962 0.77 HPGD (0.82) HPGDPYGLTRPV1HSD17B10MEN1
SCHEMBL9424396 0.76 ALOX5 (0.40) KMT2A
SCHEMBL9425990 0.76 HPGD (0.54) HPGDPYGLTRPV1MAPTKMT2A
SCHEMBL9425938 0.76 KMT2A (0.60) TRPV1KMT2A
SCHEMBL9345431 0.75 TRPV1 (0.78) HPGDTRPV1HSD17B10MEN1MAPT
SCHEMBL9441403 0.74 EPHX2 (0.38) HPGDTRPV1HSD17B10MEN1MAPT

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