SCHEMBL7786712

SCHEMBL7786712

O=C1c2ccccc2C(=O)N1S[C@@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ OGA O60502 3/20 0.32
▸ HEXB P07686 1/20 0.32
▸ TREH O43280 1/20 0.32
▸ PTPN1 P18031 2/20 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
SCHEMBL30180597 0.77 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL24256710 0.77 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL26879311 0.77 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL25346410 0.77 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4265462 0.76 LGALS3 (0.46) LGALS3ALDH1A1MAPTHPGDPKM
SCHEMBL4265461 0.76 LGALS3 (0.46) LGALS3ALDH1A1MAPTHPGDPKM
SCHEMBL24256153 0.72 DPP4 (0.40) ALDH1A1MAPTPKMALOX15HSD17B10
SCHEMBL23705166 0.72 DPP4 (0.40) ALDH1A1MAPTPKMALOX15HSD17B10
SCHEMBL30103463 0.72 DPP4 (0.40) ALDH1A1MAPTPKMALOX15HSD17B10
SCHEMBL3926975 0.72 LGALS3 (0.48) LGALS3SLC6A2TREH

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
EP-1140959-A1 INOSITOL-CONTAINING HEXASACCHARIDES, THEIR SYNTHESIS AND THEIR USES Rademacher Group Limited (GB) 2001-10-10 — — EP disclosed
WO-2000039141-A1 INOSITOL-CONTAINING HEXASACCHARIDES, THEIR SYNTHESIS AND THEIR USES RADEMACHER GROUP LIMITED (GB) 2000-07-06 — — WO disclosed
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