SCHEMBL3133553

SCHEMBL3133553

CC(C)Oc1cc(N(Cc2cccnc2)c2ccc(C(=O)O)cc2)ccc1OC(F)F.CC(C)Oc1cc(N(Cc2cccnc2)c2cccc(C(=O)O)c2)ccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
GRM2 Q14416 9/20 0.43
PDE4B Q07343 5/20 0.41
PDE4A P27815 4/20 0.40
PDE4C Q08493 4/20 0.40
PDE4D Q08499 4/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
GCK P35557 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3133528 0.97 GRM2 (0.44) RXRARXRBRXRGGRM2PDE4B
SCHEMBL3121497 0.96 RXRA (0.48) RXRARXRBRXRGGRM2PDE4B
SCHEMBL1159028 0.93 GRM2 (0.44) GRM2PDE4BPDE4APDE4CPDE4D
SCHEMBL3131461 0.91 PDE4A (0.47) RXRARXRBRXRGGRM2PDE4B
SCHEMBL3133561 0.91 GRM2 (0.42) RXRARXRBRXRGGRM2PDE4B
SCHEMBL3200102 0.89 PDE4B (0.45) GRM2PDE4BPDE4APDE4CPDE4D
SCHEMBL4190635 0.88 GRM2 (0.44) RXRARXRBRXRGGRM2PDE4B
SCHEMBL3117619 0.88 RXRA (0.41) RXRARXRBRXRGGRM2PDE4B
SCHEMBL3132076 0.88 GRM2 (0.44) RXRAGRM2PDE4BPDE4APDE4C
SCHEMBL3123134 0.87 ALDH1A1 (0.46) GRM2PDE4BPDE4APDE4CPDE4D

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed