SCHEMBL28997541

SCHEMBL28997541

CC(C)C(C)(C)CC(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
CPA1 P15085 2/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MME P08473 2/20 0.35
TP53 P04637 1/20 0.35
PGD P52209 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL13268012 0.84 FOLH1 (0.41) FOLH1SMN1; SMN2CPA1CPB1CPA3
SCHEMBL20621110 0.82 FOLH1 (0.50) FOLH1SMN1; SMN2CPA1CPB1CPA3
SCHEMBL27407515 0.77 FOLH1 (0.45) FOLH1SMN1; SMN2CPA1CPB1CPA3
SCHEMBL12227812 0.77 FOLH1 (0.45) FOLH1SMN1; SMN2CPA1CPB1CPA3
SCHEMBL18489589 0.76 MMP1 (0.34) MEN1GAAKMT2A
SCHEMBL3995651 0.75 GABRP (0.35) SLC22A6ADRA1A
SCHEMBL3995049 0.75 GABRP (0.35) SLC22A6ADRA1A
SCHEMBL24414811 0.75 FOLH1 (0.43) FOLH1SMN1; SMN2CPA1CPB1CPA3
SCHEMBL28148014 0.75 TP53 (0.36) TP53CHRM1ADRA1A
SCHEMBL8847139 0.75 GRIK1 (0.46) 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-114426609-B Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2023-05-12 CN disclosed