SCHEMBL7093353

SCHEMBL7093353

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 3/20 0.34
THRB P10828 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
SCHEMBL28652967 0.79 GAA (0.37)
SCHEMBL10899304 0.68 ALDH1A1 (0.48) ALDH1A1TDP1TSHRTHRB
SCHEMBL28081614 0.67 ALOX15 (0.37)
SCHEMBL29022549 0.67 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTHRB
SCHEMBL27788303 0.67 ALDH1A1 (0.42) ALDH1A1TDP1TSHRTHRB
SCHEMBL18031875 0.67 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL18031880 0.67 ALDH1A1 (0.34) ALDH1A1TSHRTHRB
SCHEMBL17070899 0.67 ALDH1A1 (0.52) ALDH1A1TDP1TSHRTHRB
SCHEMBL1562829 0.66 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTHRB
SCHEMBL2597657 0.66 ALDH1A1 (0.46) ALDH1A1TDP1TSHRTHRB

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
WO-2003086316-A2 DEGRADABLE CROSSLINKERS, AND DEGRADABLE CROSSLINKED HYDROGELS COMPRISING THEM BIOSPHERE MEDICAL, INC. (US) 2003-10-23 WO disclosed