SCHEMBL7123847

SCHEMBL7123847

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ACLY P53396 2/20 0.36
TET2 Q6N021 2/20 0.34

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
SCHEMBL2545818 0.78 TSHR (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL473141 0.78 TSHR (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL473138 0.78 TSHR (0.45) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL25634371 0.76 ACLY (0.56) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2125611 0.74 ACLY (0.37) TSHRALDH1A1ACLYTET2
SCHEMBL7367001 0.72 ALDH1A1 (0.40) TSHRALDH1A1ACLYTET2
SCHEMBL28695848 0.72 TSHR (0.39) TSHRALDH1A1HMGCRCHRM1TBXA2R
SCHEMBL2898495 0.71
SCHEMBL2899117 0.71
SCHEMBL278725 0.71

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-1058687-B1 NUCLEOSIDES MEDIVIR AB (SE) 2003-12-10 EP disclosed