SCHEMBL9958682

SCHEMBL9958682

CC(S)(CC(=O)O)CC(CO)(CC(C)(S)CC(=O)O)C(C)(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9958697 0.81 FFAR1 (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL17998000 0.75 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL17997999 0.74 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL10577212 0.73 HMGCR (0.55) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL16411389 0.68 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL25337653 0.68
SCHEMBL7059905 0.68
SCHEMBL3177665 0.67
SCHEMBL29780811 0.66 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2D6
SCHEMBL1155214 0.65

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
EP-2226347-B1 EPOXY RESIN CURING AGENT, METHOD FOR PRODUCING THE SAME, AND EPOXY RESIN COMPOSITION SHOWA DENKO KK (JP) 2012-06-27 EP claimed