SCHEMBL11099708

SCHEMBL11099708

CNC(C)C(O)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HTT P42858 2/20 0.39
CASR P41180 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ENPP2 Q13822 1/20 0.36
MTNR1A P48039 1/20 0.36

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
SCHEMBL4350908 0.82 GAA (0.47) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL4340530 0.80 GAA (0.45) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL294227 0.79 CA1 (0.43) GAAALDH1A1CA1CA2CA12
SCHEMBL294805 0.79 CA1 (0.43) GAAALDH1A1CA1CA2CA12
SCHEMBL4334371 0.79 GAA (0.47) GAAALDH1A1KMT2AMEN1CASR
SCHEMBL294274 0.76 CA1 (0.40) GAAALDH1A1CA1CA2CA12
SCHEMBL1153615 0.76 CA1 (0.40) GAAALDH1A1CA1CA2CA12
SCHEMBL1153785 0.75 GAA (0.41) GAAALDH1A1KMT2AMEN1HTT
SCHEMBL1153935 0.73 L3MBTL1 (0.43) GAAALDH1A1KMT2AMEN1HPGD
SCHEMBL1154023 0.73 L3MBTL1 (0.41) GAAALDH1A1KMT2AMEN1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP claimed
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP disclosed
US-4403096-A Optically active imidazolidin-2-one derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-09-06 US disclosed
EP-0075868-A2 Optically active amino alcohols and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-04-06 EP disclosed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP disclosed