SCHEMBL9323266

SCHEMBL9323266

CCC(C)=CC(=O)OCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 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
SCHEMBL15482482 0.86 TSHR (0.53) TSHRMAPTNPSR1
SCHEMBL4399315 0.86 TSHR (0.53) TSHRMAPTNPSR1
SCHEMBL4399318 0.86 TSHR (0.53) TSHRMAPTNPSR1
SCHEMBL4405422 0.83 MAPT (0.40) TSHRMAPTNPSR1
SCHEMBL4405421 0.83 MAPT (0.40) TSHRMAPTNPSR1
SCHEMBL20734958 0.78 KDM4E (0.51) TSHR
SCHEMBL2952591 0.77 NPSR1 (0.56) MAPTNPSR1HSD17B10
SCHEMBL2948325 0.77 NPSR1 (0.56) MAPTNPSR1HSD17B10
SCHEMBL9512735 0.77 NPSR1 (0.56) MAPTNPSR1HSD17B10
SCHEMBL29177582 0.77 TSHR (0.52) TSHRMAPTHSD17B10MAPK1

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-0378863-B1 Thermoplastic compositions containing oxetanyl groups BAYER AG (DE) 1994-02-16 EP disclosed