SCHEMBL13680594

SCHEMBL13680594

Cc1ccc(-c2ccc3oc(=O)[nH]c3c2)o1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.58
NOS3 P29474 3/20 0.58
NOS2 P35228 3/20 0.58
PDE3B Q13370 2/20 0.55
PDE3A Q14432 2/20 0.55
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRA2A P08913 1/20 0.50
TSHR P16473 1/20 0.50
THPO P40225 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
OGT O15294 1/20 0.43
GSK3B P49841 10/20 0.42
KMO O15229 1/20 0.41
POLB P06746 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40

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
SCHEMBL13680595 0.78 GRIA1 (0.53) PDE3BPDE3ALMNAGSK3B
SCHEMBL4256962 0.75 NOS1 (0.68) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL11256932 0.75 PDE3B (0.63) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL13680975 0.75 PDE3B (0.48) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL29490188 0.74 NOS1 (1.00) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL243203 0.74 NOS1 (1.00) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL17260645 0.73 PDE3B (0.71) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL11258651 0.73 PDE3B (0.68) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL17260653 0.72 PDE3B (0.69) NOS1NOS3NOS2PDE3BPDE3A
SCHEMBL17260649 0.72 PDE3B (0.63) NOS1NOS3NOS2PDE3BPDE3A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed