SCHEMBL16582479

SCHEMBL16582479

O=C(CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ PTPN1 P18031 2/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ TNF P01375 1/20 0.43
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL14242960 1.00 HDAC1 (0.47) HDAC1HDAC2MDM4TP53KMT2A
SCHEMBL29594836 0.89 MDM4 (0.50) MDM4TP53KMT2ACASP3
SCHEMBL8227141 0.89 MDM4 (0.50) MDM4TP53KMT2ACASP3
SCHEMBL29362168 0.89 MDM4 (0.54) MDM4TP53KMT2ACASP3
SCHEMBL31248559 0.89 MDM4 (0.54) MDM4TP53KMT2ACASP3
SCHEMBL29352034 0.89 MDM4 (0.54) MDM4TP53KMT2ACASP3
SCHEMBL118112 0.89 MDM4 (0.54) MDM4TP53KMT2ACASP3
SCHEMBL15521126 0.89 MDM4 (0.54) MDM4TP53KMT2ACASP3
SCHEMBL8227161 0.89 MDM4 (0.54) MDM4TP53KMT2ACASP3
SCHEMBL8226910 0.87 MDM4 (0.50) MDM4TP53KMT2ACASP3

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-2015036927-A1 IMMUNOMODULATING PEPTIDOMIMETIC DERIVATIVES AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-03-19 — — WO disclosed
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