SCHEMBL7972944

SCHEMBL7972944

COC(=O)C(CCCCOS(=O)(=O)c1ccccc1)OS(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 2/20 0.36
HDAC2 Q92769 2/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MMP1 P03956 3/20 0.34
MMP7 P09237 3/20 0.34
MMP12 P39900 3/20 0.34
MMP13 P45452 3/20 0.34
ACE P12821 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7972978 0.96 KMT2A (0.40) KMT2AMEN1MAPK1CA12CA2
SCHEMBL7067274 0.91 KMT2A (0.41) KMT2AMEN1MAPK1CA12CA2
SCHEMBL7975853 0.89 PSMD10 (0.43) KMT2AMEN1CA12CA9RAB9A
SCHEMBL7969622 0.89 TDP1 (0.42) KMT2AMEN1MAPK1ATMNPC1
SCHEMBL7959970 0.88 RAB9A (0.36) KMT2AMEN1MMP1MMP7MMP12
SCHEMBL7971318 0.86 CTRC (0.40) MAPK1MMP1MMP7MMP12MMP13
SCHEMBL7959874 0.86 MAPT (0.39) ATMSMN1; SMN2
SCHEMBL7969965 0.85 TSHR (0.43) MAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL7976230 0.85 CTRC (0.38) KMT2AMAPK1CA12CA2CA9
SCHEMBL7972830 0.85 TDP1 (0.46) KMT2AMEN1MAPK1ATMNPC1

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