SCHEMBL11743403

SCHEMBL11743403

O=C(O)CCC(=O)c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.52
▸ USP5 P45974 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP1A2 P05177 3/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ MMP2 P08253 1/20 0.43
▸ MMP12 P39900 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ STING1 Q86WV6 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
SCHEMBL11741738 0.86 TTR (0.57) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL8688169 0.84 KMT2A (0.53) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL11743022 0.81 USP5 (0.46) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL727064 0.80 TSHR (0.59) NR4A2USP5KMT2ACYP1A2FFAR1
SCHEMBL10005512 0.80 NR4A2 (0.44) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL11743031 0.78 L3MBTL1 (0.54) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL11706074 0.77 CA2 (0.51) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL11742024 0.77 KMT2A (0.46) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL15093932 0.77 NR4A2 (0.54) NR4A2USP5ALDH1A1CYP2C19GAA
SCHEMBL11736603 0.76 KMT2A (0.49) NR4A2USP5ALDH1A1CYP2C19GAA

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
US-4052395-A AGRICULTURAL FUNGICIDAL COMPOSITIONS CONTAINING 6-(SUBSTITUTED PHENYL)-PYRIDAZINONES AND SAID PYRIDAZINONES SANKYO COMPANY LIMITED (JA) 1977-10-04 — — US disclosed
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