SCHEMBL31233292

SCHEMBL31233292

O=C(C=Cc1cccc(Cl)c1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.59
▸ CA2 P00918 1/20 0.59
▸ MAOB P27338 7/20 0.59
▸ MAPT P10636 5/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ HDAC3 O15379 2/20 0.56
▸ HDAC4 P56524 2/20 0.56
▸ HDAC1 Q13547 2/20 0.56
▸ HDAC7 Q8WUI4 2/20 0.56
▸ HDAC2 Q92769 2/20 0.56
▸ HDAC10 Q969S8 2/20 0.56
▸ HDAC11 Q96DB2 2/20 0.56
▸ HDAC8 Q9BY41 2/20 0.56
▸ HDAC6 Q9UBN7 2/20 0.56
▸ HDAC9 Q9UKV0 2/20 0.56
▸ HDAC5 Q9UQL6 2/20 0.56
▸ MAOA P21397 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56

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
SCHEMBL25189333 1.00 CA1 (0.59) CA1CA2MAOBMAPTNPC1
SCHEMBL25208894 1.00 CA1 (0.59) CA1CA2MAOBMAPTNPC1
SCHEMBL30384395 1.00 CA1 (0.59) CA1CA2MAOBMAPTNPC1
SCHEMBL25216238 0.87 MAPT (0.74) MAOBMAPTNPC1RAB9AHDAC3
SCHEMBL25200446 0.87 MAPT (0.74) MAOBMAPTNPC1RAB9AHDAC3
SCHEMBL30382887 0.87 MAPT (0.74) MAOBMAPTNPC1RAB9AHDAC3
SCHEMBL30383968 0.87 MAPT (0.74) MAOBMAPTNPC1RAB9AHDAC3
SCHEMBL25208497 0.86 MAPT (0.75) MAOBMAPTNPC1RAB9AHDAC3
SCHEMBL25200405 0.86 HDAC3 (0.59) CA1CA2MAOBMAPTNPC1
SCHEMBL25195512 0.86 HDAC3 (0.59) CA1CA2MAOBMAPTNPC1

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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