SCHEMBL28312976

SCHEMBL28312976

CCC(C(=O)O)C(CCC(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CHRM1 P11229 1/20 0.42
AKR1A1 P14550 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
BLM P54132 1/20 0.39
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.36
GABRR1 P24046 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
SCHEMBL14672481 0.90 SLC1A3 (0.46) TDP1SLC1A3SLC1A2SLC1A1BLM
SCHEMBL28095455 0.90 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL21496160 0.84 TDP1 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1604267 0.82 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL13761133 0.82 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4756190 0.82 TDP1 (0.50) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1572883 0.80 SLC1A3 (0.48) TDP1SLC1A3SLC1A2SLC1A1BLM
SCHEMBL5514417 0.80 SLC1A3 (0.48) TDP1SLC1A3SLC1A2SLC1A1BLM
SCHEMBL28159626 0.80 TDP1 (0.46) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL8320640 0.80 TDP1 (0.59) TDP1CHRM1AKR1A1CHRM3HTR2A

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
CN-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN claimed