SCHEMBL23706396

SCHEMBL23706396

CO/C=C(\Oc1cc(-c2ccccc2F)ccc1C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.42
ACMSD Q8TDX5 1/20 0.41
CTSA P10619 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
CD274 Q9NZQ7 1/20 0.37
SLC6A9 P48067 1/20 0.36
PTPRC P08575 1/20 0.36
PTPN1 P18031 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DHODH Q02127 6/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
DHFR P00374 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
ABCB1 P08183 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL30168597 0.89 ERN1 (0.41) ERN1ACMSDCTSATNKSTNKS2
SCHEMBL23717628 0.89 ERN1 (0.41) ERN1ACMSDCTSATNKSTNKS2
SCHEMBL23706401 0.87 ERN1 (0.41) ERN1ACMSDCTSASLC6A9PTPRC
SCHEMBL23706402 0.85 MEN1 (0.38) ACMSDSLC6A9
SCHEMBL23717629 0.84 ERN1 (0.43) ERN1ACMSDCTSATNKSTNKS2
SCHEMBL23732043 0.82 ERN1 (0.43) ERN1ACMSDCTSATNKSTNKS2
SCHEMBL21675861 0.78 MCL1 (0.40) CTSASLC6A9ABCB1PDK2
SCHEMBL23706391 0.77 ESR2 (0.43) CTSASLC6A9
SCHEMBL23717590 0.77 ERN1 (0.40) ERN1ACMSDCTSAPTPRCPTPN1
SCHEMBL30168601 0.77 ERN1 (0.40) ERN1ACMSDCTSAPTPRCPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021153759-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO claimed
WO-2021153758-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO claimed
WO-2021153760-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO claimed
WO-2021153759-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO disclosed
WO-2021153758-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO disclosed
WO-2021153760-A1 PLANT DISEASE CONTROL COMPOSITION AND PLANT DISEASE CONTROL METHOD 住友化学株式会社 2021-08-05 WO disclosed