SCHEMBL9737270

SCHEMBL9737270

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
FKBP1A P62942 3/20 0.35
POLB P06746 1/20 0.35
MMP2 P08253 1/20 0.35
ANPEP P15144 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35

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) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL5409737 0.82 MMP2 (0.51) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL6968941 0.82 MMP2 (0.51) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL12429341 0.82 MMP2 (0.51) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL9736813 0.80 CA12 (0.39) ALDH1A1KMT2AL3MBTL1MEN1LMNA
SCHEMBL7070247 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL9685695 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL6979615 0.78 FKBP1A (0.46) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL5410563 0.78 FKBP1A (0.46) ALDH1A1KMT2AL3MBTL1MEN1TSHR
SCHEMBL7070248 0.78 ALDH1A1 (0.67) ALDH1A1KMT2AL3MBTL1MEN1TSHR

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