SCHEMBL7777033

SCHEMBL7777033

C=CC(=O)OCC[N+](C)(C)C(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 5/20 0.47
▸ CHRM3 P20309 5/20 0.47
▸ CHRM4 P08173 4/20 0.47
▸ CHRM2 P08172 4/20 0.47
▸ THRB P10828 1/20 0.45
▸ LMNA P02545 3/20 0.39
▸ CHRM5 P08912 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ TSHR P16473 5/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALKBH5 Q6P6C2 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ HIF1A Q16665 2/20 0.34

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
Bromide SCHEMBL7770811 0.99 CHRM1 (0.48) CHRM1CHRM3CHRM4CHRM2THRB
SCHEMBL28033038 0.82 THRB (0.49) CHRM1CHRM3CHRM4CHRM2THRB
Hydrochloric Acid SCHEMBL28000634 0.81 THRB (0.48) CHRM1CHRM3CHRM4CHRM2THRB
Benzophenone SCHEMBL1371756 0.75 THRB (0.54) CHRM1CHRM3CHRM4CHRM2THRB
Benzophenone SCHEMBL3410520 0.75 THRB (0.54) CHRM1CHRM3CHRM4CHRM2THRB
SCHEMBL28290653 0.74 THRB (0.47) CHRM1CHRM3CHRM4CHRM2THRB
Hydrochloric Acid SCHEMBL169126 0.74 THRB (0.49) CHRM1CHRM3CHRM4CHRM2THRB
Benzoin SCHEMBL11764629 0.73 LMNA (0.54) CHRM1CHRM3CHRM4CHRM2THRB
SCHEMBL14438898 0.73 THRB (0.54) CHRM1CHRM3CHRM4CHRM2THRB
Hydrochloric Acid SCHEMBL5183574 0.72 CHRM1 (0.53) CHRM1CHRM3CHRM4CHRM2THRB

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-0877298-B1 Coated xerographic photographic paper XEROX CORP (US) 2001-08-29 — — EP claimed
Send feedback