SCHEMBL30712760

SCHEMBL30712760

CC(OCCOCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ OPRD1 P41143 1/20 0.41
▸ TLR2 O60603 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CASP3 P42574 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30620557 1.00 KMT2A (0.43) KMT2AOPRD1TLR2ALDH1A1EPHX2
SCHEMBL29101925 0.92 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL30918231 0.92 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL30712765 0.92 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL31089986 0.92 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL29101957 0.89 KMT2A (0.47) KMT2AOPRD1TLR2EPHX2CASP3
SCHEMBL29101955 0.88 KMT2A (0.41) KMT2AOPRD1TLR2ALDH1A1CASP3
SCHEMBL30620548 0.86 KMT2A (0.47) KMT2AOPRD1TLR2EPHX2CASP3
SCHEMBL30705439 0.85 KMT2A (0.53) KMT2AOPRD1ALDH1A1EPHX2CASP3
SCHEMBL30712763 0.85 KMT2A (0.47) KMT2AOPRD1ALDH1A1EPHX2LMNA

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-2024008102-A1 LINKER FOR CONJUGATION WUXI XDC (SHANGHAI) CO., LTD. (CN) 2024-01-11 — — WO disclosed
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