SCHEMBL9425973

SCHEMBL9425973

O=C(CCc1ccc2c(c1)OCO2)N1CCCCC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.83
ALDH1A1 P00352 3/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.58
TSHR P16473 1/20 0.58
HPGD P15428 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
TDP1 Q9NUW8 2/20 0.54
NPC1 O15118 1/20 0.54
HCAR2 Q8TDS4 1/20 0.53
NAAA Q02083 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
HTT P42858 2/20 0.51
KDM4E B2RXH2 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
SCHEMBL9425805 0.99 TRPV1 (0.81) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
Tetrahydropiperine SCHEMBL4898699 0.91 TRPV1 (1.00) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
Tetrahydropiperine SCHEMBL29392462 0.91 TRPV1 (1.00) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL9426173 0.90 TRPV1 (0.68) TRPV1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL14200777 0.90 TRPV1 (0.97) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL2830225 0.86 TRPV1 (0.64) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL4379319 0.85 KMT2A (0.64) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL14218026 0.84 TRPV1 (0.61) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL15985215 0.84 TRPV1 (0.61) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL4378534 0.84 KMT2A (0.62) TRPV1ALDH1A1KMT2ALMNASMN1; SMN2

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