SCHEMBL7952890

SCHEMBL7952890

[CH2]CCCOC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.58
CHRM3 P20309 5/20 0.58
CHRM2 P08172 4/20 0.58
CHRM4 P08173 4/20 0.58
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 6/20 0.54
CYP3A4 P08684 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KLK7 P49862 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
KMT2A Q03164 2/20 0.43

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
SCHEMBL7955194 0.95 CHRM1 (0.57) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL7952970 0.93 CHRM1 (0.55) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL7954390 0.89 CHRM1 (0.62) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL7956514 0.81 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL2865466 0.81 LMNA (0.58) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL2859452 0.81 CHRM1 (0.57) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL2864143 0.81 CHRM1 (0.57) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL22489268 0.79 LMNA (0.60) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL22488793 0.79 LMNA (0.60) CHRM1CHRM3CHRM2CHRM4LMNA
SCHEMBL21861228 0.79 CHRM1 (0.55) CHRM1CHRM3CHRM2CHRM4LMNA

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-6245779-B1 ANALGESICS; ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-06-12 US disclosed
EP-0997463-A1 NAPHTHYRIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-05-03 EP disclosed