SCHEMBL259010

SCHEMBL259010

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TET2 Q6N021 1/20 0.35
CPT2 P23786 2/20 0.33
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACLY P53396 3/20 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
SCHEMBL4628164 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL19469695 0.74 HMGCR (0.50) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL18138374 0.73 CYP2C19 (0.43) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL6040141 0.73 ALDH1A1 (0.56) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL1357615 0.73 HMGCR (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL61203 0.73 HMGCR (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL29816178 0.73 HMGCR (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL346880 0.73 HMGCR (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL29203945 0.72 TSHR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL3713463 0.72 CYP2C19 (0.50) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9267158-B2 Biological production of multi-carbon compounds from methane INTREXON CORPORATION (US) 2016-02-23 US disclosed
US-8133704-B2 Biological synthesis of difunctional alkanes from carbohydrate feedstocks CELEXION, LLC (US) 2012-03-13 US disclosed
EP-2366026-A2 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL ALKANES FROM ALPHA KETOACIDS Celexion, Llc (US) 2011-09-21 EP disclosed
US-20110171696-A1 Biological Synthesis of Difunctional Alkanes from Carbohydrate Feedstocks CELEXION, LLC (US) 2011-07-14 US disclosed