SCHEMBL20708183

SCHEMBL20708183

C/C(=C/C(C)C)CCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.42
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ UTS2R Q9UKP6 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL4660647 0.79 PLAAT3 (0.45) AOC3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL4659398 0.79 PLAAT3 (0.45) AOC3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7946947 0.74 TAAR1 (0.50) AOC3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL26784352 0.71 IDO1 (0.48) AOC3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1776 0.71 ALDH1A1 (0.63) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL13841024 0.70 PLAAT3 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL28055725 0.69 TAAR1 (0.45) AOC3TAAR1SLC6A2SLC6A3GAA
SCHEMBL31587975 0.69 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EFFAR1
SCHEMBL25006755 0.69 KCNH2 (0.35) PLAAT3PLAAT5PLAAT2PLAAT4SLC6A2
SCHEMBL23715878 0.68 HTR3E (0.41) AOC3TAAR1SLC6A2SLC6A3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438095-A1 PYRIDAZINONE-TYPE COMPOUND OR SALT THEREOF, AND HERBICIDE COMPRISING SAME Ishihara Sangyo Kaisha, Ltd. (JP) 2019-02-06 — — EP disclosed
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