SCHEMBL7960066

SCHEMBL7960066

CCOC(=O)C(CCCOS(C)(=O)=O)OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CAD P27708 1/20 0.31
CPB2 Q96IY4 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL7976055 0.95 KDM4E (0.47) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7065794 0.90 ALDH1A1 (0.38) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7969892 0.88 ALDH1A1 (0.41) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7971325 0.85 KDM4E (0.45) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7971358 0.85 TSHR (0.43) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7971310 0.83 TSHR (0.44) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7971095 0.83 ALDH1A1 (0.42) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7973307 0.82 TSHR (0.43) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7973197 0.81 KDM4E (0.48) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL7066614 0.79 ALDH1A1 (0.39) ALDH1A1TSHRKDM4EUSP2LMNA

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