SCHEMBL5132818

SCHEMBL5132818

CC(C)(C)C(C)(C(=O)O)c1ccc(F)c(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
AR P10275 2/20 0.39
CACNA1H O95180 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
GALK1 P51570 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
GRM4 Q14833 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
NR3C1 P04150 2/20 0.35
APP P05067 1/20 0.35
S1PR3 Q99500 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL604420 0.78 CACNA1H (0.39) CNR2ARCACNA1HMEN1ALDH1A1
SCHEMBL1104684 0.77 KIF11 (0.42) ARCACNA1HMEN1ALDH1A1POLB
SCHEMBL600985 0.77 CACNA1H (0.39) CNR2ARCACNA1HMEN1ALDH1A1
SCHEMBL23683520 0.74 TRPV4 (0.41) CNR2ARCACNA1HGRM4NR3C1
SCHEMBL10276227 0.74 CACNA1H (0.39) CNR2ARCACNA1HMEN1ALDH1A1
SCHEMBL2989857 0.74 TRPA1 (0.41) CNR2ARCACNA1HMEN1ALDH1A1
Hydrochloric Acid SCHEMBL602784 0.72 CACNA1H (0.39) CNR2ARCACNA1HMEN1ALDH1A1
SCHEMBL13259021 0.72 AR (0.43) CNR2ARCACNA1HAKR1C3AKR1C2
SCHEMBL7037031 0.71 MEN1 (0.46) MEN1MAPTKMT2ASMN1; SMN2SLC22A12
SCHEMBL283060 0.71 TRPV4 (0.45) ARPTGDR2NR3C1PTPN1PTPN6

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-8183289-B2 4-substituted phenoxyphenylacetic acid derivatives ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed