SCHEMBL28598698

SCHEMBL28598698

CCCCCCOCC[N+](C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.67
PRKCG P05129 2/20 0.67
PRKCB P05771 2/20 0.67
PRKCA P17252 2/20 0.67
PRKCH P24723 2/20 0.67
PRKCI P41743 2/20 0.67
PRKCE Q02156 2/20 0.67
PRKCQ Q04759 2/20 0.67
PRKCZ Q05513 2/20 0.67
PRKCD Q05655 2/20 0.67
PRKD1 Q15139 2/20 0.67
DNM1 Q05193 6/20 0.56
LMNA P02545 2/20 0.53
AKT1 P31749 2/20 0.53
ESR1 P03372 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CDC25A P30304 1/20 0.53
AGTR1 P30556 1/20 0.53
ADRA1A P35348 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL290985 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL5440696 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8855849 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8855744 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8855768 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8855786 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL5447359 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL8855806 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL14560967 1.00 PRKD3 (0.67) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL25306967 0.98 PRKD3 (0.65) PRKD3PRKCGPRKCBPRKCAPRKCH

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
CN-113125586-B Detection method of 1- [2- (2, 4-dimethyl-thiophenyl) -phenyl ] piperazine and isomer thereof 成都百裕制药股份有限公司 2022-05-24 CN disclosed
CN-113125586-A Detection method of 1- [2- (2, 4-dimethyl-thiophenyl) -phenyl ] piperazine and isomer thereof 成都百裕制药股份有限公司 2021-07-16 CN disclosed