SCHEMBL473011

SCHEMBL473011

CC(C(=O)O)c1csc(-c2cnc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)s2)n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 16/20 0.61
RBP4 P02753 1/20 0.49
TTR P02766 1/20 0.49

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
SCHEMBL359539 0.86 SCD (0.62) SCD
Acetic Acid SCHEMBL675660 0.83 SCD (0.65) SCDRBP4TTR
SCHEMBL472989 0.79 SCD (0.83) SCDRBP4TTR
SCHEMBL472984 0.77 SCD (0.78) SCD
SCHEMBL4087174 0.76 SCD (0.81) SCD
SCHEMBL472976 0.76 SCD (1.00) SCD
SCHEMBL4093432 0.76 SCD (0.77) SCD
SCHEMBL4092940 0.76 SCD (0.77) SCD
SCHEMBL27873494 0.76 SCD (0.71) SCD
SCHEMBL27873493 0.76 SCD (0.71) SCD

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-2099793-B1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC (CA) 2012-02-01 EP disclosed
US-8063224-B2 [5-(5-{4-[2-(Trifluoromethyl)phenoxy]piperidin-1-yl}-1,3,4-thiadiazol-2-yl)-2H-tetrazol-2-yl]acetic acid; metabolic disorders,antidiabetic, hypoglycemic agent; obesity, insulin resistance, liver steatosis, atherosclerosis, neurological disease, dyslipidemia, hyperlipidemia, low HDL, and high LDL MERCK CANADA INC. (CA) 2011-11-22 US disclosed