SCHEMBL28080995

SCHEMBL28080995

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
CHRM1 P11229 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.44
CPT2 P23786 2/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.35
MMP8 P22894 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
TET2 Q6N021 1/20 0.32
ACLY P53396 1/20 0.32
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL17063190 0.87 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL13310870 0.87 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL18196109 0.83 HMGCR (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Hydrogen Peroxide SCHEMBL28864226 0.80 CPT2 (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL1067575 0.80 CPT2 (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL3675525 0.79 TDP1 (0.46) TSHRCPT2FFAR1TDP1ALDH1A1
SCHEMBL28715378 0.78 HMGCR (0.64) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL544642 0.78 HMGCR (0.61) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11095261 0.77 ADRA1A (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL6863275 0.76 CYP2C19 (0.65) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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-113179643-B Catalyst component for olefin polymerization 巴塞尔聚烯烃意大利有限公司 2024-07-05 CN disclosed
CN-103189396-B The manufacture method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2016-06-29 CN disclosed