SCHEMBL29633466

SCHEMBL29633466

O=C(COc1nc(-c2ccc(Cl)cn2)n(-c2ccc(F)cc2F)n1)OCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 4/20 0.34
▸ CHRM2 P08172 3/20 0.34
▸ CHRM1 P11229 3/20 0.34
▸ CHRM3 P20309 3/20 0.34
▸ CNR1 P21554 7/20 0.34
▸ CNR2 P34972 2/20 0.33
▸ PRCP P42785 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ PPOX P50336 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
SCHEMBL24406771 1.00 PTGIR (0.34) PTGIRCHRM2CHRM1CHRM3CNR1
SCHEMBL24406712 0.86 CNR1 (0.40) CNR1CNR2
SCHEMBL29633458 0.86 CNR1 (0.40) CNR1CNR2
SCHEMBL24406742 0.85 PTGDR2 (0.41) CNR1CNR2LMNASMN1; SMN2
SCHEMBL24406744 0.85 CNR1 (0.38) CNR1CNR2MAPTKDM4ELMNA
SCHEMBL26940557 0.81 PTGIR (0.39) PTGIRMAPTKDM4ESMN1; SMN2PTGDR
SCHEMBL26938601 0.80 PTGIR (0.38) PTGIRKDM4ESMN1; SMN2PTGDRTP53
SCHEMBL24406717 0.75 CNR1 (0.39) CNR1CNR2MAPTLMNA
SCHEMBL29102051 0.75 CNR1 (0.39) CNR1CNR2
SCHEMBL24750699 0.74 CHRM3 (0.38) PTGIRCHRM2CHRM1CHRM3CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240726-B1 DERIVATIVES OF [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID AS SAFENERS FOR THE PROTECTION OF CULTIVATED PLANTS BAYER AG (DE) 2025-01-08 — — EP disclosed
EP-4240726-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS Bayer Aktiengesellschaft (DE) 2023-09-13 — — EP disclosed
WO-2022096446-A1 [(1-PHENYL-5-(HETEROARYL)-1H-1,2,4-TRIAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 — — WO disclosed
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