SCHEMBL22073053

SCHEMBL22073053

COc1ccc(OC2O[C@H](COCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2OCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 3/20 0.49
▸ GJA1 P17302 1/20 0.49
▸ SLC6A2 P23975 2/20 0.45
▸ SSTR5 P35346 2/20 0.43
▸ SSTR4 P31391 2/20 0.43
▸ SSTR1 P30872 1/20 0.43
▸ SSTR2 P30874 1/20 0.43
▸ SSTR3 P32745 1/20 0.43
▸ SLC5A1 P13866 1/20 0.42
▸ SLC5A2 P31639 1/20 0.42
▸ NT5E P21589 1/20 0.42
▸ PTPN1 P18031 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ TACR2 P21452 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL7947474 0.93 GJB2 (0.54) GJB2GJA1SSTR5SSTR4SSTR1
SCHEMBL22073762 0.91 SSTR5 (0.46) GJB2GJA1SLC6A2SSTR5SSTR4
SCHEMBL12136530 0.91 GJB2 (0.49) GJB2GJA1SLC6A2SSTR5SSTR4
SCHEMBL24217572 0.91 GJB2 (0.54) GJB2GJA1SLC6A2SSTR5SSTR4
SCHEMBL19731823 0.91 GJB2 (0.47) GJB2GJA1SLC6A2SSTR5SSTR4
SCHEMBL27001592 0.89 GJB2 (0.52) GJB2GJA1SLC6A2SSTR5SSTR4
SCHEMBL7947478 0.86 SSTR1 (0.52) GJB2GJA1SSTR5SSTR4SSTR1
SCHEMBL13991356 0.86 SLC6A2 (0.47) GJB2GJA1SLC6A2SLC5A1SLC5A2
SCHEMBL9847408 0.86 SSTR5 (0.56) GJB2SLC6A2SSTR5SSTR4SSTR1
SCHEMBL8654875 0.86 SSTR5 (0.56) GJB2SLC6A2SSTR5SSTR4SSTR1

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
WO-2020114418-A1 ANTICOAGULANT PENTASACCHARIDE COMPOUND, COMPOSITION, AND PREPARATION METHOD AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2020-06-11 — — WO disclosed
Send feedback