SCHEMBL7972874

SCHEMBL7972874

CCCCCCCCOC(=O)C(CCCCOS(=O)(=O)c1ccc(C)cc1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.43
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
CTRC Q99895 1/20 0.36
MCHR1 Q99705 1/20 0.36
PSMD10 O75832 1/20 0.36
STS P08842 5/20 0.36
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
ADAM17 P78536 2/20 0.35
MMP1 P03956 1/20 0.35
ALB P02768 1/20 0.35
CYP2C9 P11712 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR3 Q99500 1/20 0.35
STAT3 P40763 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
SCHEMBL7960303 0.98 PLA2G2C (0.43) PLA2G2CALDH1A1TSHRLMNAMCHR1
SCHEMBL7973218 0.97 PLA2G2C (0.40) PLA2G2CALDH1A1TSHRLMNACTRC
SCHEMBL7060908 0.94 PLA2G2C (0.44) PLA2G2CALDH1A1TSHRLMNAMCHR1
SCHEMBL7971365 0.93 KMT2A (0.40) PLA2G2CALDH1A1TSHRLMNAPSMD10
SCHEMBL7976224 0.91 KMT2A (0.42) PLA2G2CALDH1A1TSHRLMNAPSMD10
SCHEMBL7969965 0.90 TSHR (0.43) ALDH1A1TSHRLMNACTRC
SCHEMBL7067264 0.90 PLA2G2C (0.39) PLA2G2CALDH1A1TSHRLMNAPSMD10
SCHEMBL7976145 0.87 TSHR (0.43) ALDH1A1TSHRLMNACTRC
SCHEMBL7959891 0.87 KMT2A (0.46) ALDH1A1TSHRLMNAPSMD10TDP1
SCHEMBL7971318 0.86 CTRC (0.40) ALDH1A1TSHRLMNACTRCSTS

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