SCHEMBL2669983

SCHEMBL2669983

CCCC(CCC)C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1c(CC)oc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.41
CYP2C19 P33261 3/20 0.39
HDAC6 Q9UBN7 2/20 0.37
EYA3 Q99504 2/20 0.36
SLC22A12 Q96S37 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
CYP2C9 P11712 3/20 0.35
NQO1 P15559 1/20 0.35
MEN1 O00255 1/20 0.35
BIRC5 O15392 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
TTR P02766 1/20 0.35
PGR P06401 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 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
SCHEMBL2669921 0.85 GCG (0.41) GCGHDAC6NQO1NAMPTBRD4
SCHEMBL2669988 0.85 GCGR (0.43) GCGEYA3SLC22A12
SCHEMBL720542 0.80 CYP2C19 (0.37) GCGCYP2C19HDAC6EYA3SLC22A12
SCHEMBL2669773 0.78 NPC1 (0.39) GCGHDAC6MEN1KMT2ANPSR1
SCHEMBL720005 0.77 CYP2C19 (0.35) GCGCYP2C19HDAC6EYA3SLC22A12
SCHEMBL2669883 0.75 GCG (0.44) GCGHDAC6MEN1KMT2ANAMPT
SCHEMBL9070785 0.74 GCG (0.43) GCGCYP2C19HDAC6CYP2C9NAMPT
SCHEMBL719015 0.72 GCG (0.41) GCGCYP2C19HDAC6MEN1LMNA
SCHEMBL720006 0.71 TP53 (0.34) CYP2C19HDAC6EYA3SLC22A12CYP2C9
SCHEMBL2669986 0.71 GCG (0.40) GCGHDAC6NAMPTMCHR1

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-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 WO disclosed