SCHEMBL9736813

SCHEMBL9736813

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.35
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
FKBP1A P62942 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
MMP2 P08253 1/20 0.32
ANPEP P15144 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
SCHEMBL9736868 0.84 ALDH1A1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL9587662 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAPOLBL3MBTL1
SCHEMBL2391096 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAPOLBL3MBTL1
SCHEMBL1571210 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAPOLBL3MBTL1
SCHEMBL2390146 0.80 ALDH1A1 (0.61) ALDH1A1KMT2ALMNAPOLBL3MBTL1
SCHEMBL9737270 0.80 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAPOLBFKBP1A
SCHEMBL4367951 0.69 MMP2 (0.40) CA12CA1CA2CA9ALDH1A1
SCHEMBL22592729 0.69 MMP2 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL15380421 0.69 FKBP1A (0.51) ALDH1A1KMT2ALMNAPOLBFKBP1A
SCHEMBL12019119 0.69 ALDH1A1 (0.43) ALDH1A1KMT2ALMNACHRM2CHRM4

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