SCHEMBL17826038

SCHEMBL17826038

O=C(O)CCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ PTPN1 P18031 3/20 0.47
▸ CASP3 P42574 2/20 0.47
▸ TLR2 O60603 2/20 0.45
▸ MDM2 Q00987 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
SCHEMBL29992297 1.00 KMT2A (0.51) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL31591669 0.91 MDM4 (0.46) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL30141988 0.90 MDM4 (0.54) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL29991547 0.89 CASP3 (0.53) KMT2AMDM4TP53CASP3MDM2
SCHEMBL20357208 0.88 MDM4 (0.50) KMT2AMDM4TP53CASP3MDM2
SCHEMBL20357209 0.88 MDM4 (0.50) KMT2AMDM4TP53CASP3MDM2
SCHEMBL30074491 0.88 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL1709129 0.88 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL5323666 0.88 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3
SCHEMBL29989986 0.88 KMT2A (0.52) KMT2AMDM4TP53PTPN1CASP3

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-9365599-B2 N3S1 chelator-folate derivatives, preparation method thereof and composition for diagnosis or treatment of cancer containing the same as an active ingredient KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2016-06-14 — — US disclosed
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