SCHEMBL23531175

SCHEMBL23531175

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 6/20 0.47
▸ LIPG Q9Y5X9 2/20 0.42
▸ LIPC P11150 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ TACR1 P25103 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NR4A2 P43354 2/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ LPL P06858 1/20 0.39
▸ GRIK1 P39086 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL17703914 0.86 RXRA (0.47) CES2RXRARXRBRXRGTACR1
SCHEMBL28056425 0.83 GRIK1 (0.45) GRIK1MEN1KMT2A
SCHEMBL27782015 0.83 GRIK1 (0.45) GRIK1MEN1KMT2A
SCHEMBL16727003 0.82 NOTUM (0.55) MRGPRX4CES2TACR1MEN1KMT2A
SCHEMBL27761970 0.78 RXRA (0.53) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL2993355 0.77 MRGPRX4 (0.51) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL17897037 0.77 MRGPRX4 (0.51) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL4961189 0.76 CYP2C19 (0.52) TACR1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL23570087 0.76 MRGPRX4 (0.48) MRGPRX4CES2RXRARXRBRXRG
SCHEMBL23570421 0.76 TPMT (0.53) MRGPRX4RXRARXRBCYP2C9CYP2C19

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