SCHEMBL11061827

SCHEMBL11061827

CC(=O)OC(C)(C)N=NC(C)(C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.35

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
SCHEMBL23549 0.86 TSHR (0.52) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL23548 0.86 TSHR (0.52) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL10897591 0.81 TSHR (0.42) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL11427704 0.79 TSHR (0.47) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL11427707 0.79 TSHR (0.47) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL10898803 0.72 TSHR (0.42) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL1252396 0.72 ALDH1A1 (0.31) TSHR
SCHEMBL1252394 0.72 ALDH1A1 (0.31) TSHR
SCHEMBL9578042 0.71 CYP2D6 (0.41) TSHRCYP2D6CYP2C9CYP2C19GAA
SCHEMBL11689846 0.71 CYP2D6 (0.41) TSHRCYP2D6CYP2C9CYP2C19GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4460748-A Process for crosslinking and, if desired, foaming natural or synthetic homo- and/or copolymers LUPEROX GMBH (DE) 1984-07-17 US disclosed