SCHEMBL27848180

SCHEMBL27848180

CCc1cc(Br)cc(CC)c1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ ALOX5 P09917 2/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ CFD P00746 2/20 0.39
▸ LMNA P02545 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL12012725 0.89 KDM4E (0.41) CA2ALOX5BACE1CFDLMNA
SCHEMBL3985018 0.88 CYP4F2 (0.38) CA2ALOX5BACE1CFDMAPT
SCHEMBL29466877 0.83 CA2 (0.53) CA2ALOX5BACE1CFDLMNA
SCHEMBL27852474 0.82 AKT1 (0.46) ALOX5BACE1CFDLMNAKDM4E
SCHEMBL3083354 0.82 LMNA (0.47) ALOX5BACE1LMNAKDM4EHTT
SCHEMBL27848177 0.80 ABCB11 (0.45) ALOX5BACE1LMNAKDM4EHTT
SCHEMBL27671451 0.78 LMNA (0.40) CA2ALOX5BACE1LMNAKDM4E
SCHEMBL4647729 0.77 HSD17B10 (0.50) CA2BACE1CFDKDM4EHTT
SCHEMBL3187718 0.76 CFD (0.50) CFDLMNAKDM4EHTTHSD17B10
SCHEMBL19622461 0.76 HTT (0.42) ALOX5BACE1LMNAKDM4EHTT

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
CN-102421759-A Pyridazinone compounds and use thereof SUMITOMO CHEMICAL CO 2012-04-18 — — CN disclosed
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