SCHEMBL1132050

SCHEMBL1132050

CCC(=C(C)C(=O)O)c1cn(C2CCCCC2)c(-c2ccc(OCc3cc(OC)ccc3-c3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.38
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 2/20 0.38
NR1H4 Q96RI1 1/20 0.36
PTPN11 Q06124 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR2 P34972 2/20 0.35
GCGR P47871 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
BRD4 O60885 2/20 0.34
CMKLR1 Q99788 1/20 0.34
PTGER4 P35408 1/20 0.34
ATM Q13315 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
SCHEMBL1131567 0.84 CMKLR1 (0.39) CNR1FFAR4FFAR1CNR2GCGR
SCHEMBL1131291 0.84 FFAR1 (0.39) CNR1FFAR4FFAR1NR1H4MEN1
SCHEMBL1131288 0.84 FFAR1 (0.39) CNR1FFAR4FFAR1NR1H4MEN1
SCHEMBL1131301 0.81 FFAR1 (0.39) CNR1FFAR4FFAR1NR1H4MEN1
SCHEMBL1131302 0.81 FFAR1 (0.39) CNR1FFAR4FFAR1NR1H4MEN1
SCHEMBL1131417 0.81 ALOX5 (0.43) KMT2ALMNA
SCHEMBL1131691 0.81 ALOX5 (0.43) KMT2ALMNA
SCHEMBL1131724 0.81 PTPN11 (0.37) CNR1FFAR4FFAR1NR1H4PTPN11
SCHEMBL1132049 0.81 PTPN11 (0.37) CNR1FFAR4FFAR1NR1H4PTPN11
SCHEMBL1131931 0.79 NR1H4 (0.40) CNR1FFAR4FFAR1NR1H4MEN1

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
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed