SCHEMBL10486338

SCHEMBL10486338

CCC(COS(=O)(=O)Cc1ccccc1)COS(=O)(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 3/20 0.41
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
FAAH O00519 1/20 0.41
ELANE P08246 1/20 0.41
PRTN3 P24158 1/20 0.41
CA5A P35218 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
F2 P00734 2/20 0.37

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
SCHEMBL7786030 0.88 ALDH1A1 (0.49) KMT2ACA2PRSS1PRSS2PRSS3
SCHEMBL5147553 0.85 KMT2A (0.47) KMT2ACA1CA2CA9PRSS1
SCHEMBL10916650 0.82 KMT2A (0.52) KMT2ACA1CA2CA9PRSS1
SCHEMBL7783799 0.82 PRSS1 (0.44) KMT2ACA2PRSS1PRSS2PRSS3
SCHEMBL7783816 0.81 PRSS1 (0.43) KMT2ACA2PRSS1PRSS2PRSS3
Benzene SCHEMBL28852658 0.80 KMT2A (0.57) KMT2ACA1CA2CA9PRSS1
SCHEMBL354454 0.80 KMT2A (0.57) KMT2ACA1CA2CA9PRSS1
SCHEMBL4753848 0.79 KMT2A (0.49) KMT2ACA1CA2CA9PRSS1
SCHEMBL9765840 0.79 KMT2A (0.45) KMT2ACA1CA2CA9PRSS1
SCHEMBL4990043 0.79 KMT2A (0.52) KMT2ACA1CA2CA9PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833157-A ANTIULCER AGENTS MILES INC. (US) 1989-05-23 US disclosed
US-4742080-A Therapeutic method for producing bronchodilation by administration of 15-deoxy-16-hydroxy prostaglandin esters MILES LABORATORIES, INC. (US) 1988-05-03 US disclosed
US-4415592-A ANTISECRETORY AND HYPOTENSIVE AGENTS MILES LABORATORIES, INC. (US) 1983-11-15 US disclosed
US-4331688-A Therapeutic method for inhibiting gastric secretion by administration of 15-deoxy-16-hydroxy prostaglandins MILES LABORATORIES, INC. (US) 1982-05-25 US disclosed
US-4275224-A BRONCHODIALATORS AND ANTI-GASTRIC SECRETION AGENTS MILES LABORATORIES, INC. (US) 1981-06-23 US disclosed
US-4132738-A BRONCHODILATORS, ANTISECRETORY AGENTS MILES LABORATORIES, INC. (US) 1979-01-02 US disclosed