SCHEMBL10454439

SCHEMBL10454439

O=CCOCC#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ HTR2A P28223 5/20 0.41
▸ HTR2C P28335 4/20 0.41
▸ HTR2B P41595 4/20 0.41
▸ SIGMAR1 Q99720 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APP P05067 1/20 0.39

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
SCHEMBL1276464 0.82 CYP1A2 (0.56) MMP2MMP12CA12CA1CA2
SCHEMBL8706112 0.81 CYP1A2 (0.44) MMP2MMP12CA12CA1CA2
SCHEMBL1460921 0.77 NPSR1 (0.45) MMP2MMP12CA12CA1CA2
SCHEMBL1460918 0.77 NPSR1 (0.45) MMP2MMP12CA12CA1CA2
SCHEMBL5243364 0.75 NPSR1 (0.53) MMP2MMP12CA12CA1CA2
SCHEMBL3660905 0.74 CYP1A2 (0.52) CA12CA1CA2CA7CA9
SCHEMBL31006227 0.74 HTR2A (0.45) MMP2MMP12CA12CA1CA2
SCHEMBL12267719 0.73 NPSR1 (0.47) MMP2MMP12CA12CA1CA2
SCHEMBL19359277 0.73 MMP2 (0.61) MMP2MMP12CA12CA1CA2
SCHEMBL13259162 0.73 KDM4E (0.51) MMP2MMP12CA12CA1CA2

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-0111105-B1 UNSATURATED AROMATIC AMIDES AS PESTICIDES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-05 — — EP disclosed
US-4931469-A APPLYING UNSATURATED PHENYL AMIDES; FOR ACARINA BURROUGHS WELLCOME CO. (US) 1990-06-05 — — US disclosed
US-4855086-A MITICIDES, INSECTICIDES BURROUGHS WELLCOME CO. (US) 1989-08-08 — — US disclosed
EP-0111105-A2 Unsaturated aromatic amides as pesticides THE WELLCOME FOUNDATION LIMITED (GB) 1984-06-20 — — EP disclosed
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