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Sugi Predict / Compounds / SCHEMBL19670752

SCHEMBL19670752

SCHEMBL19670752

O=C(CCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ TLR2 O60603 4/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ MDM2 Q00987 5/20 0.42
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL15474345 0.94 TLR2 (0.45) KMT2ATLR2HDAC1HDAC2MDM2
SCHEMBL10313728 0.92 MDM4 (0.45) KMT2ATLR2MDM2MDM4TP53
SCHEMBL30338374 0.92 MDM4 (0.45) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29398199 0.92 MDM4 (0.45) KMT2ATLR2MDM2MDM4TP53
SCHEMBL12658111 0.89 PTPN1 (0.44) KMT2ATLR2MDM4TP53
SCHEMBL16925663 0.88 KMT2A (0.53) KMT2ATLR2HDAC1HDAC2MDM2
SCHEMBL14770862 0.87 TLR2 (0.44) KMT2ATLR2HDAC1HDAC2MDM2
SCHEMBL30483321 0.87 TLR2 (0.44) TLR2MDM2MDM4TP53
SCHEMBL31591666 0.87 KMT2A (0.48) KMT2ATLR2MDM2MDM4TP53
SCHEMBL29412202 0.86 MDM4 (0.44) KMT2ATLR2MDM2MDM4TP53

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
US-9833520-B2 Labeled, non-peptidic, multivalent integrin antagonist compounds; methods for synthesis and uses thereof THE METHODIST HOSPITAL RESEARCH INSTITUTE (US) 2017-12-05 — — US disclosed
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