SCHEMBL4032814

SCHEMBL4032814

CCOC(=O)c1ccc2c(c1)c1c(n2CCCS(=O)(=O)N(C)C)CC(OC)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 6/20 0.47
▸ POLB P06746 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ RAD52 P43351 1/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 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
SCHEMBL4188561 0.78 SCARB1 (0.67) SCARB1HSD17B10NPC1DRD3
SCHEMBL4031809 0.78 SCARB1 (0.62) SCARB1POLBHSD17B10NPC1RAD52
SCHEMBL4203284 0.70 SCARB1 (0.67) SCARB1HSD17B10NPC1DRD3
SCHEMBL4780961 0.70 SCARB1 (0.61) SCARB1POLBKDM4EALDH1A1ALOX15
SCHEMBL22511693 0.67 RORC (0.56) SCARB1POLBKDM4EALDH1A1ALOX15
SCHEMBL4726921 0.66 SCARB1 (0.46) SCARB1ALDH1A1RAB9ANPC1PTGER4
SCHEMBL2020046 0.65 CNR1 (0.55) CNR1CNR2
SCHEMBL4025480 0.65 SCARB1 (0.61) SCARB1HSD17B10NPC1
SCHEMBL4032588 0.64 SCARB1 (0.61) SCARB1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL4728860 0.64 SCARB1 (0.61) SCARB1

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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