SCHEMBL22677739

SCHEMBL22677739

CC(=O)OC1C(OCc2ccccc2)[C@H](O)C(COCc2ccccc2)O[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 3/20 0.46
▸ SSTR4 P31391 4/20 0.45
▸ NT5E P21589 1/20 0.45
▸ TACR1 P25103 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ CDC25B P30305 3/20 0.40
▸ GJB2 P29033 1/20 0.40
▸ SSTR1 P30872 1/20 0.40
▸ SSTR2 P30874 1/20 0.40
▸ SSTR3 P32745 1/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ SELP P16109 1/20 0.39

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
SCHEMBL20306742 0.91 NT5E (0.51) TACR2SSTR4NT5ETSHRPTPN1
SCHEMBL18483746 0.89 TACR2 (0.46) TACR2SSTR4NT5EPTPN1CDC25B
SCHEMBL9044996 0.89 TACR2 (0.46) TACR2SSTR4NT5EPTPN1CDC25B
SCHEMBL13541652 0.89 TACR2 (0.46) TACR2SSTR4NT5EPTPN1CDC25B
SCHEMBL18505864 0.87 NT5E (0.55) TACR2SSTR4NT5ETACR1PTPN1
SCHEMBL20229514 0.87 TSHR (0.53) TACR2NT5ETSHRPTPN1SELP
SCHEMBL14413233 0.86 TACR2 (0.48) TACR2SSTR4NT5EPTPN1CDC25B
SCHEMBL13775036 0.86 TACR2 (0.48) TACR2SSTR4NT5EPTPN1CDC25B
SCHEMBL26759982 0.84 ALDH1A1 (0.42) TACR2TSHRSLC6A2
SCHEMBL10028342 0.84 GJB2 (0.47) TACR2SSTR4NT5EPTPN1CDC25B

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-2020232194-A1 METHODS FOR GLYCOSYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-19 — — WO disclosed
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