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Sugi Predict / Compounds / SCHEMBL14446419

SCHEMBL14446419

SCHEMBL14446419

CCOP(=O)(OCC)C(NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21)P(=O)(OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ CASP3 P42574 1/20 0.41
▸ TLR2 O60603 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ MDM4 O15151 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CXCR2 P25025 1/20 0.39

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
SCHEMBL4634027 0.87 KMT2A (0.58) KMT2ACASP3TLR2EPHX2MDM4
SCHEMBL7743458 0.80 KMT2A (0.57) KMT2ACASP3TLR2EPHX2
SCHEMBL12761610 0.79 KMT2A (0.59) KMT2ACASP3EPHX2MDM4TP53
SCHEMBL12878333 0.79 KMT2A (0.61) KMT2ACASP3TLR2EPHX2
SCHEMBL14008332 0.79 KMT2A (0.64) KMT2ACASP3TLR2EPHX2
SCHEMBL9906753 0.78 KMT2A (0.58) KMT2ATLR2EPHX2
SCHEMBL12256997 0.78 KMT2A (0.58) KMT2ACASP3TLR2EPHX2MDM4
SCHEMBL14765353 0.78 KMT2A (0.53) KMT2ACASP3TLR2EPHX2CXCR2
SCHEMBL31546963 0.78 KMT2A (0.57) KMT2ACASP3TLR2EPHX2MDM4
SCHEMBL17089903 0.78 KMT2A (0.62) KMT2ACASP3EPHX2CXCR2

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-2007096703-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-08-30 — — WO disclosed
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