SCHEMBL28812905

SCHEMBL28812905

CCCCc1ccc(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.45
ALOX15 P16050 2/20 0.45
KAT8 Q9H7Z6 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PPARA Q07869 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KIF11 P52732 1/20 0.40
DRD2 P14416 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
IAPP P10997 1/20 0.39

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
SCHEMBL31528718 0.94 KAT8 (0.52) IGF1RALOX15KAT8PPARA
SCHEMBL5319451 0.94 KAT8 (0.52) IGF1RALOX15KAT8PPARA
SCHEMBL5693437 0.85 ALDH1A1 (0.49) IGF1RALOX15PPARACNR1CNR2
SCHEMBL4509532 0.84 TRPA1 (0.48) ALOX15HTTCNR1CNR2KIF11
SCHEMBL11794148 0.81 KAT8 (0.56) IGF1RALOX15KAT8PPARA
SCHEMBL29612324 0.81 HTT (0.52) IGF1RALOX15KAT8NPC1HPGD
SCHEMBL673963 0.81 HTT (0.52) IGF1RALOX15KAT8NPC1HPGD
Methane SCHEMBL27924017 0.80 HTT (0.50) IGF1RALOX15KAT8NPC1HPGD
SCHEMBL19056632 0.79 PTGS2 (0.47) KAT8PPARACNR1CNR2
SCHEMBL28596261 0.78 NPC1 (0.49) IGF1RALOX15KAT8NPC1HPGD

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
CN-103732632-A Method for producing olefin block polymer using group 4 transition metal complex SUMITOMO CHEMICAL CO 2014-04-16 CN disclosed