SCHEMBL3638827

SCHEMBL3638827

CC(C)(C)OC(=O)N1SOCC1[C@@](C)(I)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
RORC P51449 7/20 0.39
GPR119 Q8TDV5 2/20 0.37
POLB P06746 1/20 0.35
P2RY14 Q15391 1/20 0.35
MMP13 P45452 1/20 0.34
TACR1 P25103 2/20 0.33
TGFBR1 P36897 1/20 0.33
STS P08842 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CETP P11597 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
SCHEMBL30280111 0.78 USP2 (0.36) RORCNR1H2
SCHEMBL4298384 0.78 CETP (0.41) MAPTRORCGPR119POLBTACR1
SCHEMBL4298380 0.78 CETP (0.41) MAPTRORCGPR119POLBTACR1
SCHEMBL1595315 0.77 NR1H2 (0.39) MAPTRORCGPR119POLBP2RY14
SCHEMBL1594437 0.77 NR1H2 (0.39) MAPTRORCGPR119POLBP2RY14
SCHEMBL3641741 0.76 MAPT (0.40) MAPTRORCGPR119POLBTGFBR1
SCHEMBL3641743 0.76 MAPT (0.40) MAPTRORCGPR119POLBTGFBR1
SCHEMBL22059421 0.70 RORC (0.57) MAPTRORCGPR119P2RY14TACR1
SCHEMBL1294818 0.68 USP2 (0.39) NR1H2
SCHEMBL18138321 0.68 USP2 (0.39) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167504-A2 THIADIAZOLE MODULATORS OF PKB Amgen, Inc (US) 2010-03-31 EP disclosed
WO-2009011871-A2 THIADIAZOLE MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed