SCHEMBL45693

SCHEMBL45693

CC[N+](C)(C)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.56
TSHR P16473 1/20 0.56
OPRM1 P35372 1/20 0.56
BLM P54132 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
TAAR1 Q96RJ0 3/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
MAOB P27338 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41

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
SCHEMBL18644115 0.85 ACHE (0.45) ACHECA1CA2CA7CA9
SCHEMBL9605247 0.79 ACHE (0.58) ACHECA1CA2CA7CA9
SCHEMBL4676751 0.79 CHRM2 (0.40) ACHECA1CA2CA7CA9
SCHEMBL15430822 0.75 CA1 (0.50) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL12043620 0.75 ACHE (0.75) ACHETSHROPRM1BLMSMN1; SMN2
SCHEMBL13854404 0.74 ACHE (0.62) ACHETSHROPRM1BLMSMN1; SMN2
1,3-Dimethoxybenzene SCHEMBL28262290 0.73 ACHE (0.67) ACHESMN1; SMN2CA1CA2CA7
SCHEMBL6600795 0.73 ACHE (0.45) ACHECA1CA2CA7CA9
Edrophonium SCHEMBL8009388 0.72 ACHE (1.00) ACHETSHROPRM1BLMSMN1; SMN2
Edrophonium SCHEMBL34790 0.72 ACHE (1.00) ACHETSHROPRM1BLMSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9601696-B2 Electroluminescent composition and electric device with high brightness SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-21 US disclosed
US-9306170-B2 Electronic device and polymer compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-05 US disclosed
US-9306169-B2 Electronic device, polymer compound, organic compound, and method of producing polymer compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-05 US disclosed
US-20140039131-A1 ELECTRONIC DEVICE AND POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-02-06 US disclosed
US-20140024785-A1 ELECTRONIC DEVICE, POLYMER COMPOUND, ORGANIC COMPOUND, AND METHOD OF PRODUCING POLYMER COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-23 US disclosed
EP-2582799-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL Codexis, Inc. (US) 2013-04-24 EP disclosed
WO-2011159910-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS, INC. (US) 2011-12-22 WO disclosed
WO-2003101917-A2 A PROCESS FOR THE PREPARATION OF PHENYLCARBAMATES SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-12-11 WO disclosed