SCHEMBL9872776

SCHEMBL9872776

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL23249565 0.79 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL23249568 0.79 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL29864729 0.79 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL6257249 0.77 ALDH1A1 (0.48) TSHRALDH1A1
SCHEMBL16198017 0.76 TSHR (0.58) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL575530 0.76 ALDH1A1 (0.65) TSHRALDH1A1CYP3A4
SCHEMBL987906 0.76 TSHR (0.65) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL10515464 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2166794 0.74 TSHR (0.39) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL2166791 0.74 TSHR (0.39) TSHRALDH1A1CHRM2CHRM4CHRM1

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-5023361-A Process for preparing hydroxyalkylating agents, the agents so obtained, and their use RHONE-POULENC SANTE (FR) 1991-06-11 US disclosed