SCHEMBL31124807

SCHEMBL31124807

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.46
▸ LGALS8 O00214 1/20 0.40
▸ PDE4D Q08499 3/20 0.39
▸ PDPK1 O15530 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ TACR2 P21452 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ SLC5A2 P31639 2/20 0.35
▸ LGALS3 P17931 1/20 0.35
▸ GYPA P02724 1/20 0.35
▸ BCHE P06276 1/20 0.35

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
SCHEMBL5688958 0.83 SLC6A2 (0.43) SLC6A2LGALS8PDE4DPDPK1MTOR
SCHEMBL11673905 0.80 NT5E (0.43) PDE4DPDPK1MTORTACR2TSHR
SCHEMBL11673910 0.80 NT5E (0.43) PDE4DPDPK1MTORTACR2TSHR
SCHEMBL14020263 0.80 SLC6A2 (0.44) SLC6A2LGALS8PDE4DPDPK1MTOR
SCHEMBL14599853 0.79 NT5E (0.44) TACR2BCHE
SCHEMBL20952828 0.79 NT5E (0.44) TACR2BCHE
SCHEMBL11673525 0.79 NT5E (0.44) TACR2BCHE
SCHEMBL16027750 0.79 NT5E (0.44) TACR2BCHE
SCHEMBL14850039 0.79 PDPK1 (0.38) SLC6A2PDPK1MTORTACR2TSHR
SCHEMBL13572465 0.79 NT5E (0.44) TACR2BCHE

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
CN-118688320-A Analysis method of fondaparinux sodium related substances 新天地医药技术研究院(郑州)有限公司 2024-09-24 — — CN disclosed
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