SCHEMBL11514712

SCHEMBL11514712

CC(C)(C)OOC(=O)C([C]=O)C[C]=O

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL9201386 0.74 SMN1; SMN2 (0.36)
SCHEMBL11286116 0.70
SCHEMBL21417 0.66 TSHR (0.39) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL10700060 0.66
SCHEMBL3068632 0.66 CA2 (0.41) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL23501792 0.65 HDAC3 (0.36) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL26927735 0.65 SMN1; SMN2 (0.43) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL4679646 0.65 TSHR (0.38) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL19452469 0.64 ALDH1A1 (0.34) ALDH1A1TSHRHSD17B10TDP1
SCHEMBL28082229 0.63 LMNA (0.33)

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-4155956-A Process for producing shock-proof graft copolymers of styrene with synthetic rubber BALLOVA GALINA (SU) 1979-05-22 US disclosed