SCHEMBL10337475

SCHEMBL10337475

CCC(=O)OOC(=O)c1cccc(Oc2ccc(C(F)F)c(F)c2Cl)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.31
▸ EPAS1 Q99814 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ HPD P32754 1/20 0.30

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
SCHEMBL10337477 0.79 ALDH1A1 (0.33) CDK2ALDH1A1HPD
SCHEMBL11090841 0.66 HPGD (0.48) ALDH1A1
SCHEMBL29034725 0.64 TDP1 (0.58) EPAS1
SCHEMBL9172243 0.64 CTSD (0.50) ALDH1A1
SCHEMBL8578394 0.63 PTPN7 (0.42) CDK2ALDH1A1
SCHEMBL3780457 0.63 ALDH1A1 (0.46) ALDH1A1
SCHEMBL28075340 0.62 EPAS1 (0.51) CDK2EPAS1
SCHEMBL11116038 0.62 TSHR (0.43) CDK2EPAS1ALDH1A1HPD
SCHEMBL23294948 0.62 TSHR (0.51) ALDH1A1HPD
SCHEMBL29588719 0.62 TSHR (0.51) ALDH1A1HPD

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
EP-0370644-A2 Herbicidal compounds ZENECA LIMITED (GB) 1990-05-30 — — EP disclosed
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 — — EP disclosed
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