SCHEMBL24235593

SCHEMBL24235593

CCNC(=O)C(CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)NC(=O)CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.62
▸ TLR2 O60603 4/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ CASP3 P42574 1/20 0.44
▸ PTGER4 P35408 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ MDM2 Q00987 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
SCHEMBL14086291 0.85 KMT2A (0.56) KMT2ATLR2
SCHEMBL23446479 0.84 TLR2 (0.53) KMT2ATLR2MDM2
SCHEMBL14073967 0.84 KMT2A (0.55) KMT2ATLR2PTGER4
SCHEMBL14073977 0.84 KMT2A (0.55) KMT2ATLR2PTGER4
SCHEMBL8008781 0.84 KMT2A (0.62) KMT2ATLR2FOLH1CASP3MDM2
SCHEMBL14073973 0.83 KMT2A (0.55) KMT2ATLR2
SCHEMBL24235513 0.83 KMT2A (0.73) KMT2ATLR2FOLH1MDM2
SCHEMBL4172995 0.83 KMT2A (0.73) KMT2ATLR2FOLH1MDM2
SCHEMBL14073978 0.83 KMT2A (0.54) KMT2ATLR2
SCHEMBL23445925 0.83 TLR2 (0.52) KMT2ATLR2MDM2

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-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 — — WO disclosed
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