SCHEMBL2708246

SCHEMBL2708246

COC(=O)CC(C)(O)CC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
HSD17B10 Q99714 3/20 0.33
GAA P10253 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
TET2 Q6N021 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RECQL P46063 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 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
SCHEMBL2708250 1.00 TSHR (0.36) TSHRHSD17B10GAAHMGCRCHRM1
SCHEMBL5856537 0.82 TSHR (0.37) TSHRHSD17B10GAAMGAMSI
SCHEMBL10781696 0.81 KMT2A (0.44) TSHRHSD17B10GAAHMGCRCHRM1
SCHEMBL7047649 0.80 HMGCR (0.50) TSHRHSD17B10GAAHMGCRCHRM1
SCHEMBL9538499 0.77 HMGCR (0.61) TSHRHMGCRCHRM1TBXA2RADRA1A
SCHEMBL18751330 0.74 TSHR (0.42) TSHRHSD17B10GAAHMGCRCHRM1
SCHEMBL13059616 0.72 TSHR (0.40) TSHRHSD17B10GAAHMGCRCHRM1
SCHEMBL15944462 0.72 HMGCR (0.68) TSHRHSD17B10GAAHMGCRCHRM1
SCHEMBL13079905 0.72 TSHR (0.40) TSHRHSD17B10GAAMGAMSI
SCHEMBL17301670 0.72 MGAM (0.48) TSHRHSD17B10GAAHMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198069-B2 Method of producing an optically enriched tertiary alcohol from an epoxide using halohydrin dehalogenase BASF SE (DE) 2012-06-12 US disclosed
EP-1966385-B1 A process for the production of an optically enriched tertiary alcohol BASF SE (DE) 2012-05-02 EP disclosed
US-20080299626-A1 Process For the Production of an Optically Enriched Tertiary Alcohol BASF AKTIENGESELLSCHAFT (DE) 2008-12-04 US disclosed
EP-1966385-A2 A PROCESS FOR THE PRODUCTION OF AN OPTICALLY ENRICHED TERTIARY ALCOHOL BASF SE (DE) 2008-09-10 EP disclosed
WO-2007071599-A2 A PROCESS FOR THE PRODUCTION OF AN OPTICALLY ENRICHED TERTIARY ALCOHOL BASF SE (DE) 2007-06-28 WO disclosed