SCHEMBL13747863

SCHEMBL13747863

COC(=O)c1ccc2c(c1C)c1c(n2CCCO)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 6/20 0.46
▸ HSD17B10 Q99714 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PTGDR2 Q9Y5Y4 4/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL4029927 0.88 SCARB1 (0.43) SCARB1HSD17B10SMN1; SMN2HTTNPSR1
SCHEMBL4025431 0.79 SCARB1 (0.46) SCARB1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL4030252 0.76 SCARB1 (0.70) SCARB1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL4033009 0.76 SCARB1 (0.41) SCARB1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL4023327 0.74 HSD17B10 (0.41) SCARB1HSD17B10KDM4EALDH1A1NPC1
SCHEMBL4204074 0.73 ALDH1A1 (0.45) SCARB1HTTKDM4EALDH1A1KMT2A
SCHEMBL4031956 0.71 THRB (0.42) SCARB1SMN1; SMN2HRH3
SCHEMBL13746785 0.69 SCARB1 (0.38) SCARB1HSD17B10NPSR1KDM4EALDH1A1
SCHEMBL13746723 0.68 SCARB1 (0.64) SCARB1HSD17B10ALDH1A1NPC1HDAC1
SCHEMBL4028758 0.67 SCARB1 (0.72) SCARB1HSD17B10NPC1HDAC1HDAC6

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-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 — — WO disclosed
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