SCHEMBL7752815

SCHEMBL7752815

C[C@@H](O)[C@H](NC(=O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.67
▸ TLR2 O60603 2/20 0.45
▸ CASP3 P42574 2/20 0.42
▸ MDM4 O15151 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL28823765 0.93 KMT2A (0.68) KMT2ATLR2CASP3
SCHEMBL15669323 0.93 KMT2A (0.68) KMT2ATLR2CASP3
SCHEMBL15669319 0.87 KMT2A (0.62) KMT2ATLR2CASP3
SCHEMBL574816 0.86 KMT2A (0.64) KMT2ATLR2CASP3
SCHEMBL29376420 0.86 KMT2A (0.50) KMT2ATLR2CASP3MDM4TP53
SCHEMBL31546963 0.85 KMT2A (0.57) KMT2ATLR2CASP3MDM4TP53
SCHEMBL13295942 0.83 KMT2A (0.64) KMT2ATLR2CASP3
SCHEMBL1486209 0.83 CASP3 (0.54) KMT2ACASP3MDM4TP53
SCHEMBL2551441 0.83 CASP3 (0.54) KMT2ACASP3MDM4TP53
SCHEMBL119400 0.83 CASP3 (0.54) KMT2ACASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1068222-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER Du Pont Pharmaceuticals Company (US) 2001-01-17 — — EP disclosed
WO-1999051628-A1 RADIOPHARMACEUTICALS FOR IMAGING INFECTION AND INFLAMMATION AND FOR IMAGING AND TREATMENT OF CANCER DU PONT PHARMACEUTICALS COMPANY (US) 1999-10-14 — — WO disclosed
Send feedback