SCHEMBL17278248

SCHEMBL17278248

CCCCOC[C@H]1O[C@@H](C)[C@H](O)[C@@H](OCCCC)[C@@H]1OCCCC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GJB2 P29033 4/20 0.45
▸ GBA1 P04062 5/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TNF P01375 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SSTR1 P30872 1/20 0.32
▸ SSTR2 P30874 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ SSTR3 P32745 1/20 0.32
▸ SSTR5 P35346 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ SPHK2 Q9NRA0 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31

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
SCHEMBL17278246 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2TNFALDH1A1
SCHEMBL15581551 1.00 GJB2 (0.45) GJB2GBA1SMN1; SMN2TNFALDH1A1
SCHEMBL14012378 0.95 GJB2 (0.48) GJB2GBA1SMN1; SMN2TNFALDH1A1
SCHEMBL12000785 0.87 SMN1; SMN2 (0.42) GJB2GBA1SMN1; SMN2ALDH1A1TDP1
SCHEMBL14418558 0.86 GBA1 (0.46) GJB2GBA1SMN1; SMN2TNFALDH1A1
SCHEMBL14392184 0.86 SMN1; SMN2 (0.41) GJB2GBA1SMN1; SMN2ALDH1A1TDP1
SCHEMBL469761 0.86 SMN1; SMN2 (0.41) GJB2GBA1SMN1; SMN2ALDH1A1TDP1
SCHEMBL10134736 0.86 SMN1; SMN2 (0.41) GJB2GBA1SMN1; SMN2ALDH1A1TDP1
SCHEMBL15255412 0.86 SMN1; SMN2 (0.41) GJB2GBA1SMN1; SMN2ALDH1A1TDP1
SCHEMBL12556188 0.86 SMN1; SMN2 (0.41) GJB2GBA1SMN1; SMN2ALDH1A1TDP1

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
WO-2015177083-A1 STEREOSELECTIVE SYNTHESIS OF INTERMEDIATES IN THE PREPARATION OF ß-C-ARYLGLUCOSIDES LEK PHARMACEUTICALS D.D. (SI) 2015-11-26 — — WO disclosed
EP-2947077-A1 Stereoselective synthesis of intermediates in the preparation of ß-C-arylglucosides LEK Pharmaceuticals d.d. (SI) 2015-11-25 — — EP disclosed
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