SCHEMBL10408161

SCHEMBL10408161

OCC[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.49
▸ TACR2 P21452 1/20 0.46
▸ SLC6A2 P23975 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDPK1 O15530 2/20 0.43
▸ MTOR P42345 1/20 0.43
▸ HTR1A P08908 1/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ CDC25B P30305 2/20 0.38

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
SCHEMBL10408120 1.00 PDE4D (0.49) PDE4DTACR2SLC6A2TSHRCYP2C19
SCHEMBL10408205 0.92 PDE4D (0.51) PDE4DTACR2SLC6A2TSHRCYP2C19
SCHEMBL10408203 0.92 PDE4D (0.51) PDE4DTACR2SLC6A2TSHRCYP2C19
SCHEMBL6298186 0.90 PDE4D (0.46) PDE4DTACR2SLC6A2TSHRCYP2C19
SCHEMBL10352583 0.88 HTR1A (0.51) PDE4DTACR2HTR1ANT5EPTPN1
SCHEMBL10400344 0.88 HTR1A (0.51) PDE4DTACR2HTR1ANT5EPTPN1
SCHEMBL21657197 0.87 HTR1A (0.50) PDE4DTACR2HTR1ANT5EPTPN1
SCHEMBL25084148 0.85 PTPN1 (0.47) SLC6A2PDPK1MTORPTPN1CDC25B
SCHEMBL10408745 0.84 HTR1A (0.53) PDE4DTACR2SLC6A2HTR1ANT5E
SCHEMBL10408744 0.84 HTR1A (0.53) PDE4DTACR2SLC6A2HTR1ANT5E

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-4968790-A HYPOGLYCEMIC AGENTS, PLANT GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1990-11-06 — — US disclosed
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