SCHEMBL78610

SCHEMBL78610

COCCCc1ccc(Cl)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR84 Q9NQS5 1/20 0.37
IDO1 P14902 2/20 0.37
CYP2C8 P10632 1/20 0.36
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
GSTO1 P78417 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.34
REN P00797 2/20 0.33
KCNH2 Q12809 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PNMT P11086 1/20 0.33

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
SCHEMBL78606 0.90 IDO1 (0.39) LMNAMAPK1HTTPOLBL3MBTL1
SCHEMBL15716656 0.81 IGF1R (0.53) IDO1IGF1RALOX15KCNH2TMEM97
SCHEMBL15784840 0.80 GPR84 (0.42) LMNAMAPK1HTTGPR84IDO1
SCHEMBL12062356 0.79 PNMT (0.46) GPR84IDO1IGF1RALOX15GLA
SCHEMBL8037047 0.78 SKP2 (0.40) GPR84CYP2C8IGF1RALOX15KDM4E
SCHEMBL91281 0.75 L3MBTL1 (0.43) L3MBTL1GPR84CYP2C8IGF1RALOX15
SCHEMBL13154801 0.74 CYP2C8 (0.39) L3MBTL1CYP2C8IGF1RALOX15REN
SCHEMBL19398823 0.73 HSPA5 (0.43) LMNAMAPK1L3MBTL1IDO1ALOX15
SCHEMBL15809160 0.72 MRGPRX4 (0.48) LMNAPOLBKDM4E
SCHEMBL78902 0.72 LMNA (0.41) LMNAMAPK1HTTPOLBL3MBTL1

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
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed