SCHEMBL9345367

SCHEMBL9345367

CCCCCCCCCCCCNC(=O)CCc1ccc(O)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.80
MAPT P10636 3/20 0.80
HSD17B10 Q99714 2/20 0.80
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
GPR119 Q8TDV5 1/20 0.72
HPGD P15428 3/20 0.70
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 1/20 0.70
GMNN O75496 1/20 0.70
USP2 O75604 1/20 0.70
LMNA P02545 1/20 0.70
TP53 P04637 1/20 0.70
CYP1A2 P05177 1/20 0.70
POLB P06746 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
IDE P14735 1/20 0.70
ALOX15 P16050 1/20 0.70
NFKB1 P19838 1/20 0.70

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
Hydrocaffeoylhexylamide SCHEMBL9346647 1.00 TRPV1 (0.80) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL9350021 1.00 TRPV1 (0.80) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL9345431 0.99 TRPV1 (0.78) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL9425343 0.94 TRPV1 (0.75) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL8390662 0.90 TRPV1 (0.87) TRPV1MAPTHSD17B10MEN1KMT2A
Palmitoyl Dopamine SCHEMBL875454 0.89 TRPV1 (1.00) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL30582326 0.89 TRPV1 (1.00) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL10617939 0.89 TRPV1 (1.00) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL3326638 0.89 TRPV1 (1.00) TRPV1MAPTHSD17B10MEN1KMT2A
SCHEMBL30368905 0.89 TRPV1 (1.00) TRPV1MAPTHSD17B10MEN1KMT2A

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