SCHEMBL31233152

SCHEMBL31233152

O=C(/C=C/c1cccc(O)c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ NPC1 O15118 5/20 1.00
▸ RAB9A P51151 5/20 1.00
▸ L3MBTL1 Q9Y468 3/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ MAOB P27338 2/20 0.76
▸ MAOA P21397 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ MEN1 O00255 2/20 0.67
▸ KMT2A Q03164 2/20 0.67
▸ LMNA P02545 2/20 0.60
▸ CASP3 P42574 1/20 0.59
▸ SENP8 Q96LD8 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ KDR P35968 1/20 0.59
▸ CTSL P07711 2/20 0.57
▸ CTSB P07858 2/20 0.57
▸ ABCB1 P08183 1/20 0.57

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
SCHEMBL25221774 1.00 MAPT (1.00) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL25207340 1.00 MAPT (1.00) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL30383257 1.00 MAPT (1.00) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL25185070 0.89 MAPT (0.80) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL25214347 0.89 MAPT (0.80) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL30382973 0.89 MAPT (0.80) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL21749655 0.85 MAOB (1.00) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL2327949 0.85 HDAC4 (0.77) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL25200446 0.85 MAPT (0.74) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL25216238 0.85 MAPT (0.74) MAPTNPC1RAB9AL3MBTL1ALDH1A1

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-2024233598-A1 COMPOSITIONS AND METHODS FOR TREATING BLEEDING AND BLEEDING DISORDERS YewSavin, Inc. (US) 2024-11-14 — — WO disclosed
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