SCHEMBL9444656

SCHEMBL9444656

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.78
LTA4H P09960 2/20 0.53
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CCR5 P51681 1/20 0.48

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
SCHEMBL9346567 0.95 TRPV1 (0.82) TRPV1LTA4HHPGDMEN1KMT2A
SCHEMBL179093 0.89 TRPV1 (0.77) TRPV1MEN1KMT2APOLBALDH1A1
SCHEMBL14763513 0.88 TRPV1 (1.00) TRPV1HPGDMEN1KMT2APOLB
SCHEMBL179009 0.85 TRPV1 (0.79) TRPV1MEN1KMT2APOLBALDH1A1
SCHEMBL9425666 0.84 MEN1 (0.70) MEN1KMT2AALDH1A1
SCHEMBL179091 0.84 TRPV1 (0.62) TRPV1MEN1KMT2ACCR5
SCHEMBL108284 0.82 TRPV1 (0.67) TRPV1MEN1KMT2APOLBALDH1A1
SCHEMBL10946174 0.82 TRPV1 (0.70) TRPV1HPGD
SCHEMBL9589809 0.82 TRPV1 (0.65) TRPV1LTA4HHPGDALDH1A1CCR5
SCHEMBL29548418 0.82 TRPV1 (0.70) TRPV1HPGDALDH1A1

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-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