SCHEMBL3249140

SCHEMBL3249140

CCCCCc1[nH]c(Cc2ccccc2)nc1-c1ccc(CCC)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
PDE10A Q9Y233 1/20 0.44
ALOX15B O15296 1/20 0.43
GPR84 Q9NQS5 1/20 0.40
DHODH Q02127 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR8 Q9NR97 1/20 0.38

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
SCHEMBL3241219 0.92 GPR84 (0.47) HSD11B1ALOX15BGPR84MEN1LMNA
SCHEMBL3237304 0.91 GPR84 (0.46) HSD11B1ALOX15BGPR84MEN1LMNA
SCHEMBL3244818 0.91 GPR84 (0.46) HSD11B1ALOX15BGPR84MEN1LMNA
SCHEMBL3242578 0.91 GPR84 (0.46) HSD11B1ALOX15BGPR84MEN1LMNA
SCHEMBL3241474 0.90 HSD11B1 (0.48) HSD11B1ALOX15BGPR84DHODH
SCHEMBL3242206 0.88 GAA (0.42) HSD11B1GPR84KMT2A
SCHEMBL3242267 0.87 NPC1 (0.47) HSD11B1LMNAPOLBHTT
SCHEMBL27815899 0.86 TLR8 (0.45) HSD11B1ALOX15BTLR8
SCHEMBL27835532 0.86 GCGR (0.37) HSD11B1PDE10AALOX15BGPR84DHODH
SCHEMBL3245335 0.84 HSD11B1 (0.49) HSD11B1GPR84DHODHMEN1KMT2A

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-2010024472-A1 SURFACE TREATING AGENT FOR COPPER OR COPPER ALLOY AND USE THEREOF SHIKOKU CHEMICALS CORPORATION (JP) 2010-03-04 WO disclosed