SCHEMBL8628754

SCHEMBL8628754

CCS[C@@H]1O[C@H](COCCOS(C)(=O)=O)[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccc(OC)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GJB2 P29033 1/20 0.30
GJA1 P17302 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
SCHEMBL8907208 0.87 GJB2 (0.37) MEN1KMT2AGJB2GJA1
SCHEMBL8627802 0.87 MEN1 (0.40) MEN1KMT2AGJB2GJA1
SCHEMBL8625721 0.82 GJB2 (0.37) GJB2GJA1
SCHEMBL8626852 0.81 MEN1 (0.41) MEN1KMT2A
SCHEMBL8627917 0.80 MEN1 (0.36) MEN1KMT2A
SCHEMBL8624561 0.80 MEN1 (0.33) MEN1KMT2AGJB2GJA1
SCHEMBL8627578 0.79 MEN1 (0.34) MEN1KMT2A
SCHEMBL8015808 0.74 GJB2 (0.36) MEN1KMT2AGJB2GJA1
SCHEMBL8626588 0.74 CA2 (0.33)
SCHEMBL8628196 0.72 GJB2 (0.43) GJB2GJA1

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-5747463-A SELECTIN ANTAGONISTS; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 US disclosed