SCHEMBL23570083

SCHEMBL23570083

N#CC1(Cc2cc(Cl)cc(C(=O)O)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.46
▸ HCAR1 Q9BXC0 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MRGPRX4 Q96LA9 8/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ NR4A2 P43354 2/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32

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
SCHEMBL23570081 0.79 MRGPRX4 (0.43) MRGPRX4HSD11B1NR4A2RXRARXRB
SCHEMBL23570082 0.78 TPMT (0.52) TPMTHCAR1MRGPRX4NR4A2HCAR2
SCHEMBL23570084 0.78 TPMT (0.52) TPMTHCAR1MRGPRX4HCAR2YTHDC1
SCHEMBL23570088 0.77 TPMT (0.50) TPMTHCAR1MRGPRX4HCAR2YTHDC1
SCHEMBL23570080 0.77 TPMT (0.50) TPMTHCAR1KCNH2MRGPRX4NR4A2
SCHEMBL28928694 0.74 TPMT (0.55) TPMTHCAR1MRGPRX4NR4A2HCAR2
SCHEMBL30058440 0.74 TPMT (0.55) TPMTHCAR1MRGPRX4NR4A2HCAR2
SCHEMBL22926217 0.71 TPMT (0.50) TPMTHCAR1MRGPRX4HCAR2RXRA
SCHEMBL29639686 0.71 TPMT (0.50) TPMTHCAR1MRGPRX4HCAR2RXRA
SCHEMBL8979358 0.70 TPMT (0.64) TPMTHCAR1MRGPRX4NR4A2HCAR2

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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