SCHEMBL9736868

SCHEMBL9736868

CCOC(=O)[C@H]1C[C@@H](OS(C)(=O)=O)CN1S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MMP2 P08253 2/20 0.34
ANPEP P15144 2/20 0.34
FKBP1A P62942 3/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NR1D1 P20393 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9736813 0.84 CA12 (0.39) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL9737270 0.84 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL7305676 0.83 KMT2A (0.36) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL7302546 0.83 KMT2A (0.36) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL7301910 0.83 KMT2A (0.36) ALDH1A1KMT2ALMNAL3MBTL1MEN1
SCHEMBL4367951 0.82 MMP2 (0.40) ALDH1A1KMT2ALMNAMEN1CA12
SCHEMBL6857780 0.80 MMP2 (0.35) CA12MMP2ANPEP
SCHEMBL6978918 0.80 FKBP1A (0.44) ALDH1A1FKBP1A
SCHEMBL6978913 0.80 FKBP1A (0.44) ALDH1A1FKBP1A
SCHEMBL5416492 0.80 FKBP1A (0.44) ALDH1A1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251164-B1 NEW CHIRAL PHOSPHINOPYRROLIDINE COMPOUNDS AND THEIR USE FOR ASYMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS Achiwa, Kazuo (JP) 1992-12-16 EP disclosed
US-4879389-A HYDROGENATION CATALYSTS ACHIWA KAZUO (JP) 1989-11-07 US disclosed
EP-0251164-A2 New chiral phosphinopyrrolidine compounds and their use for asymetric synthesis of optically active compounds Achiwa, Kazuo (JP) 1988-01-07 EP disclosed