SCHEMBL28627067

SCHEMBL28627067

CC(C)(C)OC(=O)N[C@H](CCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ MDM2 Q00987 1/20 0.48
▸ IDO1 P14902 1/20 0.47
▸ PTPN1 P18031 3/20 0.46
▸ TLR2 O60603 3/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ MDM4 O15151 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45

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
SCHEMBL7326541 1.00 KMT2A (0.49) KMT2AMDM2IDO1PTPN1TLR2
SCHEMBL28624889 1.00 KMT2A (0.49) KMT2AMDM2IDO1PTPN1TLR2
SCHEMBL29586109 1.00 KMT2A (0.49) KMT2AMDM2IDO1PTPN1TLR2
SCHEMBL29989986 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL5323666 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL29792137 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL29350883 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL1709129 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL30074491 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3
SCHEMBL29591196 0.91 KMT2A (0.52) KMT2AMDM2PTPN1TLR2CASP3

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
CN-113286617-A Pyrrolobenzodiazepine conjugates 免疫医疗有限公司 2021-08-20 — — CN disclosed
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