SCHEMBL31195027

SCHEMBL31195027

O=C(O)C1C(c2ccc(Br)cc2)CCC[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ GRIA4 P48058 2/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KDM1A O60341 4/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ RCOR1 Q9UKL0 2/20 0.35
▸ KDM1B Q8NB78 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL31195009 1.00 HDAC8 (0.39) HDAC8HDAC6HDAC1HRH3HTR2C
SCHEMBL31195026 1.00 HDAC8 (0.39) HDAC8HDAC6HDAC1HRH3HTR2C
SCHEMBL31335269 1.00 HDAC8 (0.39) HDAC8HDAC6HDAC1HRH3HTR2C
SCHEMBL31195030 1.00 HDAC8 (0.39) HDAC8HDAC6HDAC1HRH3HTR2C
SCHEMBL31195005 1.00 HDAC8 (0.39) HDAC8HDAC6HDAC1HRH3HTR2C
SCHEMBL31335451 0.80 HRH3 (0.44) HRH3GRIA4GRIA2FABP5SLC6A4
SCHEMBL31335235 0.79 CYP2C9 (0.39) HTR2CHTR2BKMT2AFABP5SLC6A4
SCHEMBL31335259 0.79 CYP2C9 (0.39) HTR2CHTR2BKMT2AFABP5SLC6A4
SCHEMBL31195069 0.78 HTR2C (0.44) HTR2CHTR2BSLC6A4SLC6A3KDM1A
SCHEMBL31195001 0.78 HTR2C (0.44) HTR2CHTR2BSLC6A4SLC6A3KDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719605-A1 CHEMICAL COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.4) Limited (GB) 2026-04-08 — — EP disclosed
WO-2024246863-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.4) LIMITED (GB) 2024-12-05 — — WO disclosed
WO-2024246862-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 4) LIMITED (GB) 2024-12-05 — — WO disclosed
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