SCHEMBL9493735

SCHEMBL9493735

CCc1ccccc1PCCCPc1ccccc1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
MGLL Q99685 1/20 0.35
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
TP53 P04637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL3388879 0.91 GABRA1 (0.41) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL6682709 0.87 GABRA1 (0.38) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL28326917 0.82 GABRA1 (0.41) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL7560515 0.82 GABRA1 (0.41) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL9493112 0.80 LIPG (0.49)
SCHEMBL9492225 0.78 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL28240999 0.78 LIPG (0.42) CYP2D6
SCHEMBL1423121 0.77 GABRA1 (0.44) GABRA1GABRB2MGLLMAPTL3MBTL1
SCHEMBL28240122 0.76 LIPG (0.44) CYP2D6
SCHEMBL27948017 0.76 PNMT (0.36)

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-0283586-B1 HOMOLOGATION PROCESS UNION CARBIDE CORPORATION (US) 1993-03-17 EP disclosed
EP-0283586-A2 Homologation process UNION CARBIDE CORPORATION (US) 1988-09-28 EP disclosed
US-4727200-A RHODIUM-BASED CATALYST; MILD CONDITIONS UNION CARBIDE CORPORATION (US) 1988-02-23 US disclosed