SCHEMBL8331534

SCHEMBL8331534

COCCCNC(=O)C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 4/20 0.44
▸ LGALS3 P17931 1/20 0.44
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ RECQL P46063 1/20 0.37
▸ EPHX2 P34913 1/20 0.37

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
SCHEMBL8327404 0.75 PYGB (0.41) PYGBLGALS3CA12CA1CA2
SCHEMBL5810720 0.75 PYGB (0.41) PYGBLGALS3CA12CA1CA2
SCHEMBL20856393 0.74 LGALS3 (0.66) PYGBLGALS3CA12CA1CA2
SCHEMBL20856392 0.74 LGALS3 (0.66) PYGBLGALS3CA12CA1CA2
SCHEMBL8328258 0.74 PYGB (0.47) PYGBLGALS3CA12CA1CA2
SCHEMBL8331646 0.74 PYGB (0.53) PYGBCA12CA1CA2CA9
SCHEMBL13703576 0.73 MEN1 (0.35) PYGBLGALS3ALDH1A1EPHX2
SCHEMBL14262594 0.72 AHCY (0.45) —
SCHEMBL30309331 0.72 PYGB (0.45) PYGBLGALS3CA12CA1CA2
SCHEMBL18333469 0.71 LGALS3 (0.46) PYGBLGALS3CA12CA1CA2

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-5872111-A TOILET BAR SOAP, FACIAL BODY CLEANSER, SHAMPOO, CONDITIONER, COSMETIC,SHAVING CREAM OR LOTION, SHOWER GEL, FABRIC SOFTENING CONDITIONER, AND UNDERARM DEODORANT/ANTI-PERSPIRANT LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1999-02-16 — — US disclosed
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