SCHEMBL9703092

SCHEMBL9703092

COC(=O)CCC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
CA14 Q9ULX7 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
MMP1 P03956 3/20 0.43
MMP7 P09237 3/20 0.43
MMP12 P39900 3/20 0.43
MMP13 P45452 3/20 0.43
ACE P12821 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
AKT1 P31749 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL26597085 0.82 AKT1 (0.43) CA12CA7CA9CA14SMN1; SMN2
SCHEMBL10476922 0.81 MMP13 (0.46) SMN1; SMN2MMP1MMP7MMP12MMP13
SCHEMBL26597086 0.77 CNR2 (0.47) MAPTGAAMMP1MMP13ALDH1A1
SCHEMBL28773565 0.75 MMP1 (0.47) SMN1; SMN2MAPTMMP1MMP7MMP12
SCHEMBL10012441 0.75 CA12 (0.44) CA12CA7CA9CA14SMN1; SMN2
SCHEMBL28101227 0.75 MAPT (0.59) SMN1; SMN2MAPTMMP1LMNA
SCHEMBL27853852 0.74 ALDH1A1 (0.44) CA12CA9SMN1; SMN2MAPTMMP1
SCHEMBL28970084 0.74 MTNR1A (0.53) CA12CA7CA9CA14ALDH1A1
SCHEMBL6095644 0.73 LMNA (0.47) CA12CA7CA9CA14SMN1; SMN2
SCHEMBL25384618 0.72 SMN1; SMN2 (0.53) CA12CA7CA9CA14SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175338-A Anticoagulants, vasodilation, antilipemic agents TEIJIN LIMITED (JP) 1992-12-29 US disclosed
EP-0247740-B1 NOVEL ISOCARBACYCLINS AND PROCESSES FOR PRODUCTION THEREOF TEIJIN LIMITED (JP) 1990-09-26 EP disclosed
US-4788319-A PROSTAGLANDIN INTERMEDIATES TEIJIN LIMITED (JP) 1988-11-29 US disclosed
EP-0247740-A2 Novel isocarbacyclins and processes for production thereof TEIJIN LIMITED (JP) 1987-12-02 EP disclosed