SCHEMBL31509544

SCHEMBL31509544

CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(COCNC(=O)CNC(=O)OCC3c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ ADAMTS4 O75173 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL31509575 0.90 PSMB1 (0.47) LTA4HMDM2PTPN1HDAC8
SCHEMBL31509543 0.81 RAB9A (0.49) LTA4HKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL30705439 0.80 KMT2A (0.53) EPHX2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15691997 0.79 NAMPT (0.49) MDM2EPHX2KMT2AHDAC1
SCHEMBL31509474 0.78 LTA4H (0.51) LTA4HKMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL27810168 0.78 EPHX2 (0.60) MDM2EPHX2KMT2A
SCHEMBL7395807 0.76 CA12 (0.49) MDM2EPHX2KMT2A
SCHEMBL26352259 0.75 KMT2A (0.51) EPHX2KMT2A
SCHEMBL27072523 0.75 KMT2A (0.51) EPHX2KMT2A
SCHEMBL29529271 0.75 PABPC1 (0.48) MDM2HDAC8

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-2025085489-A1 GSPT1-DEGRADING COMPOUNDS, ANTI-CD33 ANTIBODIES AND ANTIBODY-DRUG CONJUGATES AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-24 — — WO disclosed
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