SCHEMBL31467935

SCHEMBL31467935

CCOc1cc(C(=O)/C=C/c2ccc(OC(C)OCC)cc2)c(CCNC(C)=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ MAPT P10636 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TNFRSF1A P19438 2/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL31467939 0.84 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B
SCHEMBL31467921 0.82 SMN1; SMN2 (0.55) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B
SCHEMBL19468576 0.79 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTNFRSF1AABCG2
SCHEMBL31467909 0.78 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B
SCHEMBL19468566 0.77 SMN1; SMN2 (0.68) SMN1; SMN2LMNAMTNR1AMTNR1BKDM4E
SCHEMBL19468571 0.74 SMN1; SMN2 (0.70) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B
SCHEMBL19468569 0.74 SMN1; SMN2 (0.70) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B
SCHEMBL19468574 0.74 SMN1; SMN2 (0.70) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B
SCHEMBL31467930 0.74 CYP3A4 (0.51) SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL31467905 0.73 SMN1; SMN2 (0.65) SMN1; SMN2MAPTLMNAMTNR1AMTNR1B

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-2025047909-A1 PROTAC COMPOUND 国立大学法人東北大学 2025-03-06 — — WO disclosed
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