SCHEMBL8301590

SCHEMBL8301590

CC(C(=O)O)C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
KCNQ5 Q9NR82 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41

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
SCHEMBL8305858 0.84 TSHR (0.57) SLC6A2SLC6A3TSHRGRNSORT1
SCHEMBL10762807 0.84 CHRNA1 (0.57) KCNQ3KCNQ2SLC6A2SLC6A3CHRNA1
SCHEMBL18527134 0.81 ALDH1A1 (0.44) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL9128573 0.81 KCNQ3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL27243952 0.80 CES2 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL10760064 0.80 NPFFR2 (0.47) SLC6A3PPARGPPARAGAA
SCHEMBL10708228 0.77 ALDH1A1 (0.49) SLC6A2SLC6A3CHRNA1CHRNGCHRNB1
SCHEMBL479072 0.76 TSHR (0.65) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL28476035 0.76 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL27265284 0.76 S1PR1 (0.45) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478195-B1 Dihydropyridazinones and pyridazinones as fungicides ROHM & HAAS (US) 1999-05-26 EP disclosed
US-5753642-A AGRICULTURE, MEDICINE ROHM AND HAAS COMPANY (US) 1998-05-19 US disclosed
US-5728715-A FOR MAMMALS, AGRICULTURE, RICE, WHEAT, TOMATOES ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728694-A Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5728698-A AGRICULTURAL USE, RICE, WHEAT ROHM AND HAAS COMPANY (US) 1998-03-17 US disclosed
US-5726162-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5726176-A FOR CONTROLLING AGRICULTURAL AND MAMMALIAN FUNGAL DISEASES ROHM AND HAAS COMPANY (US) 1998-03-10 US disclosed
US-5631254-A RICE; HUMAN INFECTIONS ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5552409-A PHYTOPATHOGENIC, RICE ROHM AND HAAS COMPANY (US) 1996-09-03 US disclosed
EP-0478195-A1 Dihydropyridazinones, pyridazinones and related compounds as fungicides ROHM AND HAAS COMPANY (US) 1992-04-01 EP disclosed