SCHEMBL23316752

SCHEMBL23316752

CCC(C)(CC(=O)O)OCCC(C)(C)S

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
FFAR1 O14842 1/20 0.35
CPT2 P23786 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL20469259 0.84
SCHEMBL12515879 0.84 HMGCR (0.34) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL21371133 0.81 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL826204 0.79
SCHEMBL18117573 0.78 TSHR (0.39) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL18941948 0.76
SCHEMBL19537646 0.73
SCHEMBL22872160 0.72 NAALAD2 (0.36) TSHRHIF1A
SCHEMBL18751328 0.71 HMGCR (0.44) HMGCRCHRM1TBXA2RADRA1AFFAR1
SCHEMBL2710379 0.70 HMGCR (0.42) HMGCRCHRM1TBXA2RADRA1AFFAR1

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-3576717-B1 NANOPARTICLE-BASED LIVER-TARGETING THERAPY MIDATECH LTD (GB) 2021-05-05 EP disclosed