SCHEMBL9113360

SCHEMBL9113360

CCn1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.52
▸ TP53 P04637 3/20 0.52
▸ MDM2 Q00987 6/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ SLC17A5 Q9NRA2 1/20 0.44
▸ TLR2 O60603 2/20 0.44

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
SCHEMBL26008959 0.91 MDM4 (0.50) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31370341 0.90 MDM4 (0.51) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL849963 0.90 MDM4 (0.51) MDM4TP53MDM2SLC17A5
SCHEMBL24800805 0.89 MDM4 (0.50) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL5175090 0.89 MDM4 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL9081984 0.89 MDM4 (0.53) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29160941 0.88 MDM4 (0.48) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL29160943 0.88 MDM4 (0.48) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31369488 0.88 MDM4 (0.49) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL31370129 0.88 MDM4 (0.49) MDM4TP53MDM2CASP3SLC17A5

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-1995008550-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1995-03-30 — — WO disclosed
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