SCHEMBL5176549

SCHEMBL5176549

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
HMGCR P04035 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACLY P53396 2/20 0.30

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
SCHEMBL4728362 0.86 CYP2D6 (0.40) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL22344748 0.80 CYP2C19 (0.46) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL9485466 0.73 CYP2C19 (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL20347175 0.73 CYP2C19 (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL21569414 0.71 HMGCR (0.48) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL62453 0.70 CYP2C19 (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL15554023 0.68 CYP2D6 (0.39) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL28835342 0.68 HMGCR (0.44) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL4600022 0.67 CYP2C19 (0.41) CYP2C19HIF1ATSHRCYP2D6HMGCR
SCHEMBL9972853 0.67 CYP2C19 (0.41) CYP2C19HIF1ATSHRCYP2D6HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106604935-B Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2019-02-22 CN disclosed
CN-106604935-A Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2017-04-26 CN disclosed
EP-1045293-B1 Toner, and process for producing a toner CANON KK (JP) 2007-01-10 EP disclosed
EP-1045293-A2 Toner, and process for producing a toner CANON KABUSHIKI KAISHA (JP) 2000-10-18 EP disclosed