SCHEMBL25527289

SCHEMBL25527289

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ACE P12821 2/20 0.35
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FOLH1 Q04609 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
SCHEMBL28699456 0.84
SCHEMBL25527406 0.83 TSHR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL11965912 0.81 GAA (0.32) TSHRACE
SCHEMBL18266766 0.79 ALDH1A1 (0.33) TSHRTDP1
SCHEMBL25527302 0.77 ACE (0.33) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL3899462 0.76 HDAC6 (0.37) CYP2D6TSHRACETDP1
SCHEMBL23255919 0.76
SCHEMBL12533515 0.76 FFAR1 (0.33) FFAR1CPT2TDP1
SCHEMBL25946692 0.75 HMGCR (0.41) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL23489979 0.74

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
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed