SCHEMBL8069769

SCHEMBL8069769

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
FFAR3 O14843 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL322477 0.80 TSHR (0.53) ALDH1A1TSHRHMGCRCHRM1TBXA2R
SCHEMBL93224 0.78
SCHEMBL3632057 0.76
SCHEMBL29654621 0.74 LMNA (0.39) ALDH1A1TSHRFFAR3LCKFYN
SCHEMBL28773983 0.74 LMNA (0.39) ALDH1A1TSHRFFAR3LCKFYN
SCHEMBL9716539 0.74 LMNA (0.39) ALDH1A1TSHRFFAR3LCKFYN
SCHEMBL364390 0.73 FFAR3 (0.38) ALDH1A1TSHRFFAR3LCKFYN
SCHEMBL271740 0.72
SCHEMBL10733232 0.71 FFAR3 (0.35) ALDH1A1TSHRFFAR3LCKFYN
SCHEMBL28219606 0.71 FFAR3 (0.35) ALDH1A1TSHRFFAR3LCKFYN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620857-B1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LTD (GB) 2000-08-02 EP disclosed
US-5686275-A LACTATE DEHYDROGENASE GENZYME LTD. (GB) 1997-11-11 US disclosed
EP-0620857-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS Genzyme Limited (GB) 1994-10-26 EP disclosed
WO-1993013215-A1 SYNTHESIS OF HOMOCHIRAL 2-HYDROXY ACIDS GENZYME LIMITED (GB) 1993-07-08 WO disclosed