SCHEMBL23570421

SCHEMBL23570421

O=C(O)c1cc(Cl)cc(CC2CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.53
▸ HCAR1 Q9BXC0 1/20 0.47
▸ GRN P28799 2/20 0.43
▸ SORT1 Q99523 2/20 0.43
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ GRIK1 P39086 4/20 0.40
▸ SPR P35270 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TTR P02766 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 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
SCHEMBL28056425 0.87 GRIK1 (0.45) TPMTGRIK1MEN1KMT2AKDM4E
SCHEMBL27782015 0.87 GRIK1 (0.45) TPMTGRIK1MEN1KMT2AKDM4E
SCHEMBL8979358 0.76 TPMT (0.64) TPMTHCAR1HCAR2MRGPRX4TTR
SCHEMBL23531175 0.76 MRGPRX4 (0.47) GRIK1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL23570082 0.75 TPMT (0.52) TPMTHCAR1HCAR2MRGPRX4TTR
SCHEMBL8631916 0.74 ALDH1A1 (0.37) GRNSORT1SLC6A2SLC6A4SPR
SCHEMBL6954785 0.74 TPMT (0.61) TPMTHCAR1HCAR2MRGPRX4TTR
SCHEMBL23365143 0.73 CYP2C9 (0.52) SLC6A2SLC6A4SPRCYP2C9CYP2C19
SCHEMBL27709068 0.73 TPMT (0.59) TPMTHCAR1HCAR2MRGPRX4TTR
SCHEMBL23699 0.72 TPMT (1.00) TPMTHCAR1HCAR2TTRKDM4E

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
WO-2021122645-A1 PESTICIDALLY ACTIVE AZOLE-AMIDE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-06-24 — — WO disclosed
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