SCHEMBL20032809

SCHEMBL20032809

CC(=O)C1CC1CCc1ccc(-c2cccc(-n3cccn3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.83
LMNA P02545 3/20 0.43
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
METAP2 P50579 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
POLB P06746 1/20 0.39
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
GLS O94925 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL19307419 0.91 FFAR4 (1.00) FFAR4LMNAERCC1ERCC4
SCHEMBL19307420 0.91 FFAR4 (1.00) FFAR4LMNAERCC1ERCC4
SCHEMBL20032807 0.84 FFAR4 (0.81) FFAR4
SCHEMBL19307396 0.74 FFAR4 (1.00) FFAR4
SCHEMBL20032812 0.74 FFAR4 (0.81) FFAR4
SCHEMBL19307397 0.74 FFAR4 (1.00) FFAR4
SCHEMBL20032746 0.73 FFAR4 (0.83) FFAR4
SCHEMBL20032770 0.73 FFAR4 (0.83) FFAR4
SCHEMBL20032811 0.73 FFAR4 (0.83) FFAR4
SCHEMBL15021326 0.69 ERCC1 (0.52) FFAR4LMNAERCC1ERCC4METAP2

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-9938222-B2 Cyclopropanecarboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-04-10 US disclosed