SCHEMBL7973393

SCHEMBL7973393

CC(C)OC(=O)C(CCCCOS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7971095 0.95 ALDH1A1 (0.42) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7066128 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7973197 0.84 KDM4E (0.48) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7976055 0.83 KDM4E (0.47) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7971310 0.81 TSHR (0.44) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7971325 0.80 KDM4E (0.45) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7973307 0.79 TSHR (0.43) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7960066 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7971358 0.77 TSHR (0.43) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL7969892 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EUSP2LMNAMMP9

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