SCHEMBL31325075

SCHEMBL31325075

ClC1(Cl)OCc2ccccc2O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NISCH Q9Y2I1 1/20 0.33
OXTR P30559 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
HSD17B3 P37058 1/20 0.31
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL10965410 0.82 SIGMAR1 (0.45) SIGMAR1MAOAMAOBNISCHOXTR
SCHEMBL30005029 0.80 SIGMAR1 (0.44) SIGMAR1MAOAMAOBNISCHHSD17B3
SCHEMBL9530682 0.75 SIGMAR1 (0.43) SIGMAR1MAOAMAOBNISCHOXTR
SCHEMBL4854732 0.75 SIGMAR1 (0.43) SIGMAR1MAOAMAOBNISCHHSD17B3
SCHEMBL29625352 0.75 SIGMAR1 (0.43) SIGMAR1MAOAMAOBNISCHHSD17B3
SCHEMBL29973180 0.71 ALOX5 (0.38) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL1003323 0.71 ALOX5 (0.38) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL12540914 0.68 SIGMAR1 (0.55) SIGMAR1MAOAMAOBNISCHDRD2
SCHEMBL15069597 0.68 SIGMAR1 (0.55) SIGMAR1OXTRDRD2HTR2A
SCHEMBL31633760 0.67 SIGMAR1 (0.40) SIGMAR1NISCHHSD17B3KMT2ANPC1

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-119504885-A Application of DCBZ as hydroxyl protecting agent in glycosylation reaction of pyranose 深圳职业技术大学 2025-02-25 CN disclosed