SCHEMBL15430820

SCHEMBL15430820

CC[N+](C)(C)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.43
TSHR P16473 1/20 0.43
OPRM1 P35372 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL29036084 0.95 ACHE (0.44) ACHETSHROPRM1TDP1BLM
SCHEMBL5944482 0.80 ACHE (0.38) ACHETDP1SMN1; SMN2IDO1ALDH1A1
SCHEMBL5944481 0.79 ACHE (0.42) ACHETSHRTDP1SMN1; SMN2IDO1
SCHEMBL18473890 0.77 ACHE (0.42) ACHETSHROPRM1TDP1BLM
SCHEMBL5944556 0.77 HPGD (0.37) ACHETDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9712020 0.76 ACHE (0.44) ACHETSHRTDP1SMN1; SMN2IDO1
SCHEMBL8976150 0.76 ACHE (0.44) ACHETDP1SMN1; SMN2IDO1ALDH1A1
SCHEMBL2954430 0.76 ACHE (0.56) ACHETSHROPRM1TDP1BLM
Hydrochloric Acid SCHEMBL11582669 0.75 ACHE (0.44) ACHETSHROPRM1TDP1BLM
Hydrochloric Acid SCHEMBL7861493 0.75 CYP1A2 (0.39) ACHETDP1IDO1ALDH1A1MAPT

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 5 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