SCHEMBL9988515

SCHEMBL9988515

COc1ccc(-n2nc(CCC(=O)NCCOc3ccccc3)cc2-c2cccc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
TP53 P04637 2/20 0.49
LMNA P02545 1/20 0.49
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
SLC16A3 O15427 3/20 0.47
SLC16A1 P53985 3/20 0.47
MCTS1 Q9ULC4 2/20 0.47
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
RPA1 P27694 1/20 0.46
KMT2A Q03164 2/20 0.45
PTGS1 P23219 1/20 0.44
ATM Q13315 1/20 0.44
APP P05067 1/20 0.44
CCKAR P32238 4/20 0.44
CA1 P00915 1/20 0.43

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
SCHEMBL9988392 0.93 MC4R (0.57) MC4RRXRARXRBRXRGFABP3
SCHEMBL9989656 0.88 MALT1 (0.53) RXRARXRBRXRGTP53LMNA
SCHEMBL9989046 0.86 TP53 (0.50) RXRARXRBRXRGTP53LMNA
SCHEMBL9990141 0.85 RXRA (0.51) RXRARXRBRXRGTP53LMNA
SCHEMBL9999143 0.85 RXRA (0.69) RXRARXRBRXRGFABP3FABP4
SCHEMBL9988567 0.84 MALT1 (0.55) RXRARXRBRXRGTP53LMNA
SCHEMBL9988533 0.84 LMNA (0.49) RXRARXRBRXRGTP53LMNA
SCHEMBL9989576 0.84 MALT1 (0.52) RXRARXRBRXRGTP53LMNA
SCHEMBL9990250 0.83 RXRA (0.51) RXRARXRBRXRGTP53LMNA
SCHEMBL9988490 0.83 LMNA (0.49) RXRARXRBRXRGTP53LMNA

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed