SCHEMBL8627802

SCHEMBL8627802

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GJB2 P29033 1/20 0.33
GJA1 P17302 1/20 0.33
SLC5A1 P13866 1/20 0.30
SLC5A2 P31639 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR2 P30874 1/20 0.30
SSTR4 P31391 1/20 0.30
SSTR3 P32745 1/20 0.30
SSTR5 P35346 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 0.91 GJB2 (0.37) MEN1KMT2AGJB2GJA1SSTR1
SCHEMBL8626852 0.88 MEN1 (0.41) MEN1KMT2ASLC5A1SLC5A2
SCHEMBL8628754 0.87 MEN1 (0.34) MEN1KMT2AGJB2GJA1
SCHEMBL8627917 0.84 MEN1 (0.36) MEN1KMT2A
SCHEMBL8624561 0.84 MEN1 (0.33) MEN1KMT2AGJB2GJA1SSTR4
SCHEMBL8627578 0.83 MEN1 (0.34) MEN1KMT2A
SCHEMBL8625319 0.81 GJB2 (0.41) GJB2GJA1SSTR1SSTR2SSTR4
SCHEMBL8015808 0.77 GJB2 (0.36) MEN1KMT2AGJB2GJA1SLC5A1
SCHEMBL21126463 0.77 TACR2 (0.37) MEN1KMT2A
SCHEMBL18269780 0.77 TACR2 (0.37) MEN1KMT2A

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