SCHEMBL7971365

SCHEMBL7971365

CCCCOC(=O)C(CCCOS(=O)(=O)c1ccc(C)cc1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
PSMD10 O75832 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALB P02768 1/20 0.36
CYP2C9 P11712 1/20 0.36
STAT3 P40763 1/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
GLA P06280 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
SCHEMBL7973218 0.96 PLA2G2C (0.40) KMT2AMEN1PLA2G2CPSMD10ALDH1A1
SCHEMBL7960303 0.95 PLA2G2C (0.43) KMT2AMEN1PLA2G2CPSMD10ALDH1A1
SCHEMBL7067264 0.94 PLA2G2C (0.39) KMT2AMEN1PLA2G2CPSMD10ALDH1A1
SCHEMBL7972874 0.93 PLA2G2C (0.43) PLA2G2CPSMD10ALDH1A1LMNATSHR
SCHEMBL7959891 0.91 KMT2A (0.46) KMT2AMEN1PSMD10ALDH1A1LMNA
SCHEMBL7060908 0.89 PLA2G2C (0.44) PLA2G2CALDH1A1LMNATSHRTDP1
SCHEMBL7973102 0.89 TSHR (0.40) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL7976224 0.88 KMT2A (0.42) KMT2AMEN1PLA2G2CPSMD10ALDH1A1
SCHEMBL7959885 0.86 PSMD10 (0.43) KMT2AMEN1PLA2G2CPSMD10ALDH1A1
SCHEMBL7971318 0.86 CTRC (0.40) ALDH1A1LMNATSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172234-B1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-09 US disclosed
EP-0976729-A1 Optically active cyclic amino acid ester derivatives and processes for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-02 EP disclosed