SCHEMBL31509474

SCHEMBL31509474

CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(COCNC(=O)CN)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 6/20 0.51
▸ ADAMTS4 O75173 1/20 0.50
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ CYP17A1 P05093 1/20 0.44
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL31509543 0.82 RAB9A (0.49) LTA4HADAMTS4RAB9ASMN1; SMN2NPC1
SCHEMBL31509580 0.81 ADAMTS4 (0.57) LTA4HADAMTS4RAB9ASMN1; SMN2NPC1
SCHEMBL31509586 0.80 HDAC1 (0.48) LTA4HADAMTS4RAB9ASMN1; SMN2HDAC1
SCHEMBL2987817 0.80 RAB9A (0.74) LTA4HADAMTS4RAB9ASMN1; SMN2NPC1
SCHEMBL21781875 0.80 CYP17A1 (0.52) HDAC1CYP17A1MAPKAPK2
SCHEMBL31509544 0.78 LTA4H (0.42) LTA4HADAMTS4RAB9ASMN1; SMN2NPC1
SCHEMBL7698017 0.76 CYP17A1 (0.52) LTA4HHDAC1HDAC8CYP17A1MAPKAPK2
SCHEMBL31509539 0.74 MAOB (0.51) ALDH1A1
SCHEMBL7043590 0.74 LTA4H (0.62) LTA4HRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL34480 0.73 CYP17A1 (0.59) HDAC8CYP17A1PPARGPPARAMAPKAPK2

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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