SCHEMBL7971396

SCHEMBL7971396

CC(C)OC(=O)C(CCCOS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 1/20 0.34
MMP1 P03956 3/20 0.33
MMP7 P09237 3/20 0.33
MMP12 P39900 3/20 0.33
MMP13 P45452 3/20 0.33
ACE P12821 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 1/20 0.33
FABP4 P15090 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7959970 0.96 RAB9A (0.36) RAB9ATSHRALDH1A1KMT2AGAA
SCHEMBL7066495 0.92 RAB9A (0.39) RAB9ATSHRALDH1A1KMT2AGAA
SCHEMBL7973217 0.89 PSMD10 (0.38) RAB9AALDH1A1KMT2AMEN1HPGD
SCHEMBL7972978 0.87 KMT2A (0.40) RAB9ATDP1KMT2AMMP1MMP7
SCHEMBL7972830 0.86 TDP1 (0.46) RAB9ATSHRTDP1ALDH1A1KMT2A
SCHEMBL7973483 0.85 PSMD10 (0.37) RAB9AALDH1A1KMT2AHPGD
SCHEMBL7973102 0.84 TSHR (0.40) RAB9ATSHRTDP1ALDH1A1MMP1
SCHEMBL7972944 0.84 KMT2A (0.39) RAB9AKMT2AMMP1MMP7MMP12
SCHEMBL7973159 0.84 MAPT (0.39) TDP1
SCHEMBL7969622 0.82 TDP1 (0.42) RAB9ATSHRTDP1ALDH1A1KMT2A

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