SCHEMBL24467419

SCHEMBL24467419

O=C([C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CA2 P00918 1/20 0.36

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
SCHEMBL20873280 0.79 PPP5C (0.44) TSHR
SCHEMBL31759010 0.76 L3MBTL1 (0.39) RECQLSMN1; SMN2CA12CA1CA9
SCHEMBL20873337 0.75 HRH3 (0.40) —
SCHEMBL20873245 0.75 HRH3 (0.40) RECQL
SCHEMBL20873261 0.75 HSD11B1 (0.47) SMN1; SMN2KMT2A
SCHEMBL20873300 0.74 TFPI2 (0.54) TSHRMEN1TP53KMT2AUSP2
SCHEMBL20873262 0.73 HRH3 (0.42) RECQLKMT2AALDH1A1L3MBTL1POLB
SCHEMBL20873279 0.73 HRH3 (0.50) TSHRALDH1A1POLB
SCHEMBL20873323 0.72 RAB9A (0.36) MEN1KMT2A
SCHEMBL11158442 0.67 TSHR (0.65) RECQLSMN1; SMN2CA12CA1CA9

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
EP-4006017-A1 SGLT2/DPP4 INHIBITOR AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2022-06-01 — — EP disclosed
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