SCHEMBL6938544

SCHEMBL6938544

CCC(C)C(=O)/C=C/c1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.49
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HSP90AA1 P07900 1/20 0.49
P4HB P07237 2/20 0.47
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
NOS2 P35228 1/20 0.46
LCK P06239 1/20 0.46

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
SCHEMBL6938547 1.00 MMP1 (0.49) MMP1MMP2MMP9MAOAMAOB
SCHEMBL7945432 0.82 TDP1 (0.53) MAOAMAOB
SCHEMBL7933720 0.82 TDP1 (0.53) MAOAMAOB
SCHEMBL15290066 0.78 IAPP (0.63) MMP1MMP2MMP9MAOAMAOB
SCHEMBL15272572 0.77 MMP1 (0.50) MMP1MMP2MMP9MAOAMAOB
SCHEMBL15290031 0.77 MMP1 (0.50) MMP1MMP2MMP9MAOAMAOB
SCHEMBL16588980 0.76 MMP1 (0.51) MMP1MMP2MMP9MAOAMAOB
SCHEMBL2123091 0.76 MMP2 (0.70) MMP1MMP2MMP9MAOAMAOB
SCHEMBL667194 0.75 GLA (0.62) MMP1MMP2MMP9MAOAMAOB
SCHEMBL667195 0.75 GLA (0.62) MMP1MMP2MMP9MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1050528-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC (US) 2003-01-22 EP disclosed
US-6335367-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC 2002-01-01 US disclosed
EP-1050528-A1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds ROHM AND HAAS COMPANY (US) 2000-11-08 EP disclosed