SCHEMBL6543393

SCHEMBL6543393

OC[C@H](O)CSc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA7 P43166 4/20 0.45
CA9 Q16790 4/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
FFAR1 O14842 1/20 0.43
BACE1 P56817 3/20 0.42
MAPT P10636 1/20 0.41
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL6482093 1.00 MAOA (0.50) MAOAMAOBMAPK1ALDH1A1CA1
SCHEMBL1496771 1.00 MAOA (0.50) MAOAMAOBMAPK1ALDH1A1CA1
SCHEMBL916141 0.89 MAOA (0.56) MAOAMAOBMAPK1ALDH1A1CA1
Alcohol SCHEMBL914156 0.85 MAOA (0.53) MAOAMAOBMAPK1ALDH1A1CA1
SCHEMBL1496704 0.84 BACE1 (0.48) ALDH1A1CA1CA2CA4CA7
SCHEMBL16197373 0.83 HIF1A (0.39) MAOACA1CA2CA4CA7
SCHEMBL11273773 0.82 ALDH1A1 (0.45) ALDH1A1CA1CA2CA4CA7
SCHEMBL16197564 0.81 MAPK1 (0.51) MAPK1ALDH1A1CA1CA2CA4
SCHEMBL24098294 0.81 MAOA (0.48) MAOAMAOBMAPK1ALDH1A1CA1
SCHEMBL1496667 0.81 MAOA (0.53) MAOAMAOBMAPK1ALDH1A1CA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175379-B1 METHOD FOR THE ASYMMETRIC DIHYDROXYLATION OF OLEFINS, USING OSMIUM CATALYSTS BAYER CHEMICALS AG (DE) 2004-01-02 EP disclosed
US-6472570-B1 Method for the asymmetric dihydroxylation of olefins, using osmium catalysts BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
EP-1175379-A1 METHOD FOR THE ASYMMETRIC DIHYDROXYLATION OF OLEFINS, USING OSMIUM CATALYSTS Bayer Aktiengesellschaft (DE) 2002-01-30 EP disclosed
WO-2000064844-A1 METHOD FOR THE ASYMMETRIC DIHYDROXYLATION OF OLEFINS, USING OSMIUM CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2000-11-02 WO disclosed
US-4900847-A Catalytic asymmetric epoxidation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1990-02-13 US disclosed
EP-0197766-A2 Catalytic asymmetric epoxidation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1986-10-15 EP disclosed