SCHEMBL9044996

SCHEMBL9044996

C[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 2/20 0.46
▸ SSTR4 P31391 4/20 0.46
▸ GJB2 P29033 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ BCHE P06276 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ SSTR5 P35346 2/20 0.41
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ CDC25B P30305 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
SCHEMBL18483746 1.00 TACR2 (0.46) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL13541652 1.00 TACR2 (0.46) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL10028342 0.92 GJB2 (0.47) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL13775025 0.92 TACR2 (0.46) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL13775036 0.91 TACR2 (0.48) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL14413233 0.91 TACR2 (0.48) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL18470831 0.91 TACR2 (0.45) TACR2SSTR4GJB2SLC6A2HTR1A
SCHEMBL22677739 0.89 TACR2 (0.46) TACR2SSTR4GJB2SLC6A2NT5E
SCHEMBL23744216 0.89 HTR1A (0.52) TACR2SSTR4GJB2HTR1ANT5E
SCHEMBL21283070 0.89 HTR1A (0.52) TACR2SSTR4GJB2HTR1ANT5E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8127588-A — — None — — JP disclosed
JP-H08127588-A PRODUCTION OF GALACTOFURANOSIDES NOGUCHI KENKYUSHO 1996-05-21 — — JP disclosed
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