SCHEMBL7110459

SCHEMBL7110459

C=C(C)C(=O)NCC(C)OCCOC(=O)C(C(=O)OCCOC(C)CNC(=O)C(=C)C)C(CC(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
TGFBR1 P36897 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
SCHEMBL7110463 0.83 TDP1 (0.30) TDP1
SCHEMBL7632559 0.79 TDP1 (0.31) TDP1TGFBR1
SCHEMBL17792887 0.73 TGFBR1 (0.36) TGFBR1
SCHEMBL7110454 0.72
SCHEMBL16805864 0.68 TSHR (0.38) TGFBR1
SCHEMBL24513273 0.68 TGFBR1 (0.37) TGFBR1
SCHEMBL20901035 0.66 ALDH1A1 (0.38) TGFBR1
SCHEMBL29519446 0.65 TSHR (0.33) TGFBR1
SCHEMBL24495944 0.65 TGFBR1 (0.38) TGFBR1
SCHEMBL29518909 0.65 TDP1 (0.39) TDP1TGFBR1

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
US-20030078339-A1 Degradable cross-linking agents and cross-linked network polymers formed therewith ACCESS PHARMACEUTICALS, INC. 2003-04-24 US disclosed
US-6521431-B1 Cosmetic and drug-time release agents; hazardous waste remediation, metal chelation, wound healing agents ACCESS PHARMACEUTICALS, INC. 2003-02-18 US disclosed