SCHEMBL11077183

SCHEMBL11077183

c1ccc(OCCCCc2c[nH]nn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.53
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
HRH3 Q9Y5N1 1/20 0.43
LTA4H P09960 2/20 0.41
KCNH2 Q12809 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL14106697 0.82 KCNH2 (0.55) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL28749335 0.79 LTA4H (0.56) LTA4H
SCHEMBL10968847 0.79 MEN1 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28396262 0.78 L3MBTL1 (0.34) KCNH2
SCHEMBL29869051 0.76 HTR2A (0.41) HRH3KCNH2DHFR
Benzene SCHEMBL29634324 0.74 HRH1 (0.44) HRH3
SCHEMBL11272616 0.74 KCNA3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL1490164 0.73 KCNA3 (1.00) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL3823108 0.73 CA12 (0.31)
SCHEMBL2643655 0.73 KCNH2 (0.50) KCNH2TAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049111-B1 PHENOXYBUTYLTRIAZOLE COMPOUND, AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-29 EP claimed
US-4399143-A Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-08-16 US claimed
EP-0049111-A1 Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-07 EP claimed
EP-0049111-B1 PHENOXYBUTYLTRIAZOLE COMPOUND, AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-29 EP disclosed
EP-0049111-B1 PHENOXYBUTYLTRIAZOLE COMPOUND, AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION CONTAINING THE SAME, AND PROCESS FOR PRODUCING THE SAME ISHIHARA SANGYO KAISHA LTD. (JP) 1984-08-29 EP disclosed
US-4399143-A Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-08-16 US disclosed
US-4399143-A Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-08-16 US disclosed
US-4399143-A Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA, LTD. (JP) 1983-08-16 US disclosed
EP-0049111-A1 Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-07 EP disclosed
EP-0049111-A1 Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-07 EP disclosed
EP-0049111-A1 Phenoxybutyltriazole compound, agricultural and horticultural fungicidal composition containing the same, and process for producing the same ISHIHARA SANGYO KAISHA LTD. (JP) 1982-04-07 EP disclosed