SCHEMBL10898522

SCHEMBL10898522

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.36
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1107368 0.72 GAA (0.44) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL8605101 0.72 GAA (0.39) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL9219357 0.72 GAA (0.39) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL9224520 0.69 GAA (0.37) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL28287215 0.68 GAA (0.41) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL21031496 0.67 TSHR (0.42) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL11061827 0.67 TSHR (0.43) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL20361867 0.67 GAA (0.44) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL23549 0.67 TSHR (0.52) TSHRGAACYP2C19CYP2D6CYP2C9
SCHEMBL23548 0.67 TSHR (0.52) TSHRGAACYP2C19CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073038-B1 PROCESS FOR CROSS-LINKING AND IF REQUIRED FOAMING NATURAL OR SYNTHETIC HOMO- AND/OR COPOLYMERS Luperox GmbH (DE) 1986-01-02 EP disclosed
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
EP-0073038-A1 Process for cross-linking and if required foaming natural or synthetic homo- and/or copolymers Luperox GmbH (DE) 1983-03-02 EP disclosed