SCHEMBL8767346

SCHEMBL8767346

CC(C(=O)NCCCCCC(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.55
TRPV1 Q8NER1 1/20 0.52
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.51
ADRA1A P35348 1/20 0.49
ERCC1 P07992 1/20 0.48
ERCC4 Q92889 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT1 Q99873 1/20 0.47

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
SCHEMBL9829520 0.98 TRPV1 (0.53) NAAATRPV1MAPK1ALDH1A1ERCC1
SCHEMBL3200580 0.87 ERCC1 (0.52) TRPV1ALDH1A1ERCC1ERCC4
SCHEMBL14540295 0.87 ERCC1 (0.52) TRPV1ALDH1A1ERCC1ERCC4
SCHEMBL1231957 0.84 CNR1 (0.65) NAAAMAPK1CYP2D6CYP2C19
SCHEMBL5842738 0.83 TRPV1 (0.56) NAAATRPV1ALDH1A1ERCC1ERCC4
SCHEMBL22118182 0.82 MAPK1 (0.51) NAAAMAPK1ALDH1A1CYP2C9CYP2C19
SCHEMBL5611870 0.81 ALDH1A1 (0.53) NAAATRPV1ALDH1A1ERCC1ERCC4
SCHEMBL13593278 0.81 NAAA (0.54) NAAAMAPK1ALDH1A1CYP2C9CYP2C19
SCHEMBL11471099 0.79 GLI1 (0.59) TRPV1ALDH1A1ERCC1ERCC4KMT2A
SCHEMBL28658959 0.79 GPR88 (0.56) NAAATRPV1ALDH1A1ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781268-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed