SCHEMBL20122608

SCHEMBL20122608

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
TDP1 Q9NUW8 2/20 0.39
CHRM1 P11229 1/20 0.39
AKR1A1 P14550 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL48925 0.83 TP53 (0.39) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL11936620 0.83 TDP1 (0.37) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL13889788 0.83 TDP1 (0.37) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL112582 0.81
SCHEMBL12879790 0.81
SCHEMBL13711834 0.81
SCHEMBL28649060 0.81 ALDH1A1 (0.36) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL30018103 0.80 TDP1 (0.39) SLC1A3SLC1A2SLC1A1TDP1CHRM1
SCHEMBL16260442 0.79 TDP1 (0.34) SLC1A3SLC1A2SLC1A1TDP1CHRM1
Fluoride SCHEMBL28221020 0.79 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1TDP1CHRM1

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
US-9961922-B2 Animal feed and/or water amendments for lowering ammonia concentrations in animal excrement VERDESIAN LIFE SCIENCES, LLC (US) 2018-05-08 US disclosed
CN-106608935-A Catalyst components used for olefin polymerization, catalyst and application of catalyst 中国石油化工股份有限公司 2017-05-03 CN disclosed