SCHEMBL9045868

SCHEMBL9045868

CSC(C)OC(=O)CC(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL9046024 0.81 FAAH (0.51) FAAHCNR1CNR2
SCHEMBL1037280 0.79 FAAH (0.56) FAAHCNR1CNR2MEN1KMT2A
SCHEMBL11346449 0.79 FAAH (0.56) FAAHCNR1CNR2ALDH1A1ALOX15
SCHEMBL7264660 0.78 FAAH (0.54) FAAHCNR1CNR2ALDH1A1ALOX15
SCHEMBL11154007 0.74 FAAH (0.65) FAAHCNR1CNR2TSHR
SCHEMBL9668515 0.74 FAAH (0.51) FAAHCNR1CNR2TSHR
SCHEMBL9048648 0.74 FAAH (0.41) FAAHMEN1KMT2AALDH1A1TSHR
SCHEMBL9049144 0.73 FAAH (0.50) FAAHCNR1CNR2
SCHEMBL27833074 0.73
SCHEMBL9047105 0.72 FAAH (0.53) FAAHCNR1CNR2

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-0115770-B2 Thiazole Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-19 EP disclosed
US-4695639-A Thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-09-22 US disclosed
EP-0115770-B1 THIAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0115770-A1 Thiazole Derivatives Takeda Chemical Industries, Ltd. (JP) 1984-08-15 EP disclosed