SCHEMBL9346567

SCHEMBL9346567

CCCCCCNC(=O)CCc1ccc(OC(C)=O)c(OC(C)=O)c1

nearest known ligand 0.82

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.82
▸ HPGD P15428 1/20 0.56
▸ LTA4H P09960 2/20 0.54
▸ PYGL P06737 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL9444656 0.95 TRPV1 (0.78) TRPV1HPGDLTA4HMEN1KMT2A
SCHEMBL14763513 0.90 TRPV1 (1.00) TRPV1HPGDHSD17B10MEN1MAPT
SCHEMBL10946174 0.88 TRPV1 (0.70) TRPV1HPGD
SCHEMBL179093 0.87 TRPV1 (0.77) TRPV1MEN1MAPTKMT2A
SCHEMBL179009 0.83 TRPV1 (0.79) TRPV1MEN1MAPTKMT2A
SCHEMBL29548277 0.82 TRPV1 (0.78) TRPV1HPGDMEN1MAPTKMT2A
SCHEMBL179091 0.82 TRPV1 (0.62) TRPV1MEN1KMT2A
SCHEMBL11367962 0.81 HPGD (0.82) TRPV1HPGDPYGLHSD17B10MEN1
SCHEMBL108284 0.81 TRPV1 (0.67) TRPV1MEN1MAPTKMT2A
SCHEMBL9589809 0.80 TRPV1 (0.65) TRPV1HPGDLTA4HHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333522-B1 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS (JP) 1994-08-17 — — EP disclosed
US-5232923-A Stimulates production of nerve growth factor; administering for treatment of regressive disorders of the central nervous system MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-08-03 — — US disclosed
EP-0333522-A2 Catechol derivatives and pharmaceutical preparations containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-20 — — EP disclosed
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