SCHEMBL28084580

SCHEMBL28084580

CCCC(OC(C)=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
TBXA2R P21731 1/20 0.39
GALR3 O60755 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1302606 0.88 TRPV1 (0.40) TRPV1TSHRTDP1CHRM1CHRM2
SCHEMBL8007292 0.87 TRPV1 (0.50) TRPV1TSHRTDP1CHRM1CHRM2
SCHEMBL10793127 0.84 TRPV1 (0.43) TRPV1TSHRTDP1CHRM1CHRM2
SCHEMBL10793139 0.84 TRPV1 (0.43) TRPV1TSHRTDP1CHRM1CHRM2
SCHEMBL10793131 0.84 TRPV1 (0.43) TRPV1TSHRTDP1CHRM1CHRM2
SCHEMBL14991338 0.84 CHRM1 (0.37) TRPV1TSHRTDP1CHRM1AKR1A1
Acetic Acid SCHEMBL28711695 0.84 TRPV1 (0.47) TRPV1TSHRTDP1LMNAALDH1A1
SCHEMBL9805289 0.84 TRPV1 (0.56) TRPV1LMNAFAAH
SCHEMBL17309557 0.82 TDP1 (0.41) TRPV1TSHRTDP1CHRM1CHRM2
SCHEMBL1698005 0.81 TSHR (0.48) TRPV1TSHRTDP1CHRM1CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105776578-A Pesticide processing sewage treating agent and preparation method thereof 许婷 2016-07-20 CN claimed
CN-107459071-A Caused sewage degradation treating agent and its processing method during a kind of pesticide producing 海南江河农药化工厂有限公司 2017-12-12 CN disclosed
CN-105776578-A Pesticide processing sewage treating agent and preparation method thereof 许婷 2016-07-20 CN disclosed