SCHEMBL9338770

SCHEMBL9338770

CC#CCOc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.55
▸ ADAM17 P78536 12/20 0.49
▸ MMP13 P45452 5/20 0.47
▸ MMP9 P14780 4/20 0.47
▸ MMP1 P03956 3/20 0.47
▸ MMP2 P08253 3/20 0.46
▸ MMP8 P22894 2/20 0.46
▸ KCNA3 P22001 1/20 0.46
▸ MMP7 P09237 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ HTR1B P28222 1/20 0.42
▸ MMP14 P50281 1/20 0.42

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
SCHEMBL6265267 1.00 KCNH2 (0.55) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL15274643 0.88 ADAM17 (0.58) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL9808291 0.85 KCNH2 (0.57) KCNH2KCNA3LTA4HCA12CA1
SCHEMBL9757323 0.82 NPC1 (0.48) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL1790840 0.81 KCNH2 (0.53) KCNH2KCNA3LTA4HCA12CA1
SCHEMBL30992194 0.80 ADAM17 (0.45) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL2908938 0.80 ADAM17 (0.51) KCNH2ADAM17MMP13MMP9MMP1
SCHEMBL19543265 0.80 NQO1 (0.61) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL14085300 0.80 KCNH2 (0.53) KCNH2KCNA3LTA4HCA12CA1
SCHEMBL3632790 0.80 TDP1 (0.56) ADAM17MMP13MMP9MMP1MMP2

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317265-B1 Novel imidate insecticides ZENECA INC (US) 1994-06-01 — — EP claimed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 — — US claimed
US-5045566-A Phenyl or naphthyl substituted ICI AMERICAS INC. (US) 1991-09-03 — — US claimed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 — — US claimed
EP-0317265-A2 Novel imidate insecticides ZENECA INC. (US) 1989-05-24 — — EP claimed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 — — EP claimed
JP-2000172-A — — None — — JP disclosed
EP-0317265-B1 Novel imidate insecticides ZENECA INC (US) 1994-06-01 — — EP disclosed
US-5089623-A Certain imidate insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 — — US disclosed
US-5089623-A Certain imidate insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-18 — — US disclosed
US-5070210-A Novel ketenimines as intermediates for insecticides ICI AMERICAS INC. (US) 1991-12-03 — — US disclosed
US-5070210-A Novel ketenimines as intermediates for insecticides ICI AMERICAS INC. (US) 1991-12-03 — — US disclosed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 — — US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 — — US disclosed
EP-0317259-A3 HETEROCYCLIC INSECTICIDES ICI AMERICAS INC. (US) 1990-10-17 — — EP disclosed
JP-H02172-A HETEROCYCLIC INSECTICIDE ICI AMERICAS INC 1990-01-05 — — JP disclosed
EP-0317265-A2 Novel imidate insecticides ZENECA INC. (US) 1989-05-24 — — EP disclosed
EP-0317265-A2 Novel imidate insecticides ZENECA INC. (US) 1989-05-24 — — EP disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 — — EP disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 — — EP disclosed
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