SCHEMBL6932492

SCHEMBL6932492

[CH2]CC(=O)NS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP13 P45452 1/20 0.53
EGFR P00533 7/20 0.46
ERBB2 P04626 7/20 0.46
ITGA1 P56199 2/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10420808 0.82 EGFR (0.68) CA1CA2MMP1MMP2MMP9
SCHEMBL26041464 0.82 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL7315907 0.81 EGFR (0.57) CA1CA2MMP1MMP2MMP9
SCHEMBL1382333 0.79 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL25392727 0.77 CA1 (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL29238320 0.76 SMN1; SMN2 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL4773166 0.76 CA1 (0.59) CA1CA2MMP1MMP2MMP9
SCHEMBL3805836 0.73 CA1 (0.55) CA1CA2MMP1MMP2MMP9
SCHEMBL26041433 0.71 CA1 (0.53) CA1CA2MMP1MMP2MMP9
SCHEMBL1379772 0.71 CA1 (0.58) CA1CA2MMP1MMP2MMP9

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
EP-1056710-B1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM CO LTD (KR) 2003-12-10 EP claimed
US-6593363-B1 The present invention relates to diterpene derivatives prepared from the components which are extracted from Acanthopanax Koreanum and represented by Chemical Formula (1). SAE HAN PHARM. CO., LTD. (KR) 2003-07-15 US claimed
EP-1056710-B1 DITERPENE DERIVATIVES AND ANTI-INFLAMMATORY ANALGESIC AGENTS COMPRISING THE SAME SAE HAN PHARM CO LTD (KR) 2003-12-10 EP disclosed
US-6593363-B1 The present invention relates to diterpene derivatives prepared from the components which are extracted from Acanthopanax Koreanum and represented by Chemical Formula (1). SAE HAN PHARM. CO., LTD. (KR) 2003-07-15 US disclosed