SCHEMBL14113607

SCHEMBL14113607

NCC1O[C@@H](O)C(O)[C@@H](O)C1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GJA1 P17302 1/20 0.38
▸ GJB2 P29033 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LGALS1 P09382 2/20 0.38
▸ LGALS3 P17931 2/20 0.38
▸ LGALS9 O00182 1/20 0.38
▸ LGALS8 O00214 1/20 0.38
▸ IDUA P35475 1/20 0.36
▸ LRAT O95237 1/20 0.36
▸ CA2 P00918 4/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ HOGA1 Q86XE5 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL14088638 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL12361504 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL1133598 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL14265111 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL13852179 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL23517631 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL14601102 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL10025639 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL21001789 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR
SCHEMBL13857459 1.00 GJA1 (0.38) GJA1GJB2MEN1CYP2C9TSHR

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-7416858-B2 Pharmaceutical compositions of glycoconjugates NEOSE TECHNOLOGIES, INC. (US) 2008-08-26 — — US disclosed
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