SCHEMBL8416650

SCHEMBL8416650

C=C(C)C(=O)NCOCC(COCNC(=O)C(=C)C)OCNC(=O)C(=C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL134916 0.81 TSHR (0.47) TGFBR1TSHRTHRBALDH1A1
SCHEMBL2346839 0.80 ALDH1A1 (0.40) TGFBR1TSHRTHRBALDH1A1
SCHEMBL855074 0.77 TGFBR1 (0.37) TGFBR1TSHRTHRBALDH1A1
SCHEMBL150035 0.75 THRB (0.48) TGFBR1TSHRTHRBALDH1A1
SCHEMBL28586532 0.75 TGFBR1 (0.38) TGFBR1THRBALDH1A1
SCHEMBL7773164 0.75 TSHR (0.41) TGFBR1TSHRALDH1A1
SCHEMBL1994809 0.74 MMP9 (0.52) TSHRALDH1A1
SCHEMBL27019 0.74 TSHR (0.43) TSHRTHRBALDH1A1
SCHEMBL28479817 0.74 TSHR (0.43) TGFBR1TSHRTHRBALDH1A1
SCHEMBL16746550 0.73 MMP9 (0.45) ALDH1A1

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
EP-0940720-A1 Photodefinable multilayer element with removable cover sheet BASF Drucksysteme GmbH (DE) 1999-09-08 EP disclosed