SCHEMBL9256030

SCHEMBL9256030

COC=C(C(=O)OC)c1ccccc1COc1cccc(C)n1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.39
HIF1A Q16665 4/20 0.39
KDM4E B2RXH2 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL12671601 1.00 GABRA5 (0.39) GABRA5HIF1AKDM4EPTGDR2PDCD1
SCHEMBL7786334 0.88 HIF1A (0.39) HIF1AKDM4EKMT2A
SCHEMBL7786037 0.88 HIF1A (0.38) HIF1APDCD1CD274KMT2A
SCHEMBL17772698 0.88 GABRA5 (0.38) GABRA5HIF1AKDM4EPTGDR2PDCD1
SCHEMBL7786324 0.88 HIF1A (0.39) HIF1AKDM4EKMT2A
SCHEMBL7786032 0.88 HIF1A (0.38) HIF1APDCD1CD274KMT2A
SCHEMBL17230111 0.88 GABRA5 (0.38) GABRA5HIF1AKDM4EPTGDR2PDCD1
SCHEMBL7888095 0.86 HIF1A (0.37) HIF1APDCD1CD274
SCHEMBL20822607 0.86 HIF1A (0.39) HIF1APDCD1CD274
Picoxystrobin SCHEMBL18977 0.85 HIF1A (0.39) HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378711-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5326767-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5194438-A Plant safe fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5157037-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
EP-0350691-A2 Heterocyclically substituted alpha-aryl-acrylic-acid esters, and fungicides containing these compounds BASF Aktiengesellschaft (DE) 1990-01-17 EP disclosed