SCHEMBL8410457

SCHEMBL8410457

COC(=O)CC1CCc2c(O)cccc2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
ACHE P22303 2/20 0.52
CYP19A1 P11511 1/20 0.52
DRD2 P14416 8/20 0.50
DRD3 P35462 8/20 0.50
DRD4 P21917 4/20 0.50
HTR1A P08908 1/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR7 P34969 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PTGIR P43119 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
SCHEMBL11471209 0.89 CHRM3 (0.49) DRD2DRD3HTR1AHTR7CHRM2
SCHEMBL8328043 0.87 CYP19A1 (0.50) CA1CA2ACHECYP19A1DRD2
SCHEMBL8410725 0.85 CHRM2 (0.61) CA1CA2ACHECYP19A1DRD2
SCHEMBL8413532 0.83 CYP19A1 (0.57) CA1CA2ACHECYP19A1DRD2
SCHEMBL12634890 0.78 CHRM2 (0.60) CA1CA2ACHEHTR1ACHRM2
SCHEMBL8413605 0.77 PTGIR (0.48) CA1CA2ACHECHRM2CHRM1
SCHEMBL9005688 0.76 CYP19A1 (0.62) CA1CA2ACHECYP19A1DRD2
SCHEMBL1511852 0.76 BRD4 (0.47)
SCHEMBL8414291 0.76 CHRM2 (0.43) CA1CA2ACHECYP19A1DRD2
SCHEMBL29062570 0.76 DRD2 (0.59) CYP19A1DRD2DRD3DRD4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962439-A CARDIOVASCULAR DISORDER ONO PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5849919-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor anonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP disclosed
US-5589496-A Fused benzeneoxyacetic acid derivatives which have PGI2 receptor agonist activity ONO PHARMACEUTICAL CO., LTD. (JP) 1996-12-31 US disclosed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed
EP-0548949-A2 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1993-06-30 EP disclosed