SCHEMBL17863900

SCHEMBL17863900

C=C(C)C(=O)OCCOC(=O)c1ccccc1-c1c2cc/c(=[N+](/O)c3ccc(C)cc3)cc-2oc2cc(C)c(Nc3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ FTO Q9C0B1 1/20 0.31

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
SCHEMBL19655018 0.92 ABCB1 (0.34) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655013 0.88 ABCB1 (0.36) ABCB1USP2CFTRPAX8ATM
SCHEMBL19495011 0.85 ABCB1 (0.35) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655016 0.84 FPR2 (0.34) ABCB1USP2CFTRPAX8ATM
SCHEMBL19494852 0.78 KDM4E (0.41) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655017 0.77 FTO (0.39) ABCB1USP2CFTRPAX8ATM
SCHEMBL26472325 0.73 FTO (0.42) ABCB1USP2CFTRPAX8ATM
SCHEMBL19655014 0.72 FTO (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL29822272 0.72 FTO (0.40) ABCB1USP2CFTRPAX8ATM
SCHEMBL19495000 0.72 SCN1A (0.36) ABCB1USP2CFTRPAX8ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016098889-A1 QUENCHER 和光純薬工業株式会社 2016-06-23 — — WO disclosed
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