SCHEMBL13680600

SCHEMBL13680600

Cc1ccc(-c2ccc3c(c2)CC(=O)N3)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.57
CACNG8 Q8WXS5 3/20 0.57
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54
PGR P06401 4/20 0.50
CYP1A2 P05177 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
AHR P35869 2/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
BRD4 O60885 2/20 0.46
CREBBP Q92793 1/20 0.46
CDC7 O00311 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
DBF4 Q9UBU7 1/20 0.46
CRBN Q96SW2 1/20 0.44

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
SCHEMBL13680598 0.88 CRBN (0.50) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL16090326 0.82 PGR (0.57) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL23222381 0.77 HRH1 (0.51) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL13680978 0.76 PDE3B (0.47) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL27859220 0.75 PDE3B (0.64) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL23091211 0.75 KDM4E (0.51) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL4061399 0.75 TDP2 (0.70) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL19626127 0.74 GRIA1 (0.47) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL8263674 0.73 PGR (0.68) GRIA1CACNG8PDE3BPDE3APGR
SCHEMBL18189631 0.73 GRIA1 (1.00) GRIA1CACNG8PDE3BPDE3APGR

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