SCHEMBL2162852

SCHEMBL2162852

CC(C)(C)C1(C=CC(=O)O)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32
HSD11B1 P28845 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4965566 0.74 CYP1A2 (0.38) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL10702869 0.74 CYP1A2 (0.38) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL14400223 0.74 CYP1A2 (0.38) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL2162322 0.72
SCHEMBL2162319 0.72
SCHEMBL11117626 0.71 CYP2C19 (0.37) CYP1A2TSHRTP53EGLN1EGLN3
SCHEMBL101808 0.71 CYP1A2 (0.39) HCAR2CYP1A2TSHRTP53EGLN1
SCHEMBL17912276 0.69
SCHEMBL8107874 0.68 HCAR2 (0.39) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL8107891 0.68 HCAR2 (0.39) HCAR2TSHRTP53EGLN1EGLN3

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-7985803-B2 Resin composition for optical material ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-26 US disclosed