SCHEMBL20207782

SCHEMBL20207782

CC(C)[C@@H]1COc2c1ccc(Cl)c2OCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.33
CHUK O15111 1/20 0.32
CNR2 P34972 1/20 0.31
FABP4 P15090 3/20 0.31
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
PDE4D Q08499 1/20 0.30
SRC P12931 1/20 0.30
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
SLC6A4 P31645 2/20 0.30
HRH3 Q9Y5N1 2/20 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
SCHEMBL20204869 0.83 CHUK (0.34) APPCHUKFABP4HTR2CHTR2B
SCHEMBL21324920 0.80 HTR2C (0.35) APPCHUKCNR2FABP4HTR2C
SCHEMBL20206774 0.76 ADRA1A (0.38) APPCHUKFABP4HTR2CHTR2B
SCHEMBL20207787 0.76 FABP4 (0.32) CHUKCNR2FABP4HTR2CHTR2B
SCHEMBL21324930 0.74 FABP4 (0.35) APPFABP4ALOX5APFEN1
SCHEMBL21324915 0.73 HTR2C (0.34) CNR2FABP4HTR2CHTR2B
SCHEMBL21324921 0.73 HTR2C (0.34) CNR2FABP4HTR2CHTR2B
SCHEMBL21533979 0.72 HTR2C (0.33) CNR2HTR2CHTR2B
SCHEMBL21690527 0.72 HTR2C (0.33) CNR2FABP4HTR2CHTR2B
SCHEMBL21533976 0.71 HTR2C (0.33) CNR2HTR2CHTR2B

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-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed