SCHEMBL31509580

SCHEMBL31509580

CC(C)(C)OC(=O)Nc1ccc(OCc2ccc(CO)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ CYP17A1 P05093 1/20 0.51
▸ LTA4H P09960 3/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL245094 0.89 CYP17A1 (0.61) SMN1; SMN2CYP17A1HDAC8MEN1KMT2A
SCHEMBL2987817 0.88 RAB9A (0.74) ADAMTS4NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL22416647 0.84 ADAMTS4 (0.46) ADAMTS4NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL31509474 0.81 LTA4H (0.51) ADAMTS4NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL594716 0.80 CYP17A1 (0.52) ADAMTS4CYP17A1ALDH1A1
SCHEMBL8575829 0.80 KMT2A (0.63) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31703448 0.79 MAOB (0.58) NPC1RAB9ASMN1; SMN2LTA4HSIRT2
SCHEMBL31703470 0.79 MAOB (0.58) NPC1RAB9ASMN1; SMN2SIRT2PPARA
SCHEMBL627043 0.79 ALDH1A1 (0.53) ADAMTS4NPC1RAB9ASMN1; SMN2CYP17A1
SCHEMBL7955791 0.79 CYP17A1 (0.57) ADAMTS4SMN1; SMN2CYP17A1HDAC8MEN1

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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