SCHEMBL8414237

SCHEMBL8414237

COC(=O)COc1cccc2c1CCC(C=CCO)C2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
DRD3 P35462 4/20 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
SCHEMBL9005729 1.00 PTGIR (0.45) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL8811852 0.87 PTGIR (0.57) PTGIR
SCHEMBL8811848 0.87 PTGIR (0.57) PTGIR
SCHEMBL9005627 0.87 PTGIR (0.45) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9005623 0.87 PTGIR (0.45) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9017314 0.82 MTNR1A (0.50) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL8414242 0.82 DRD2 (0.42) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9017305 0.80 MTNR1A (0.48) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL8410514 0.80 PTGIR (0.54) PTGIRMTNR1AMTNR1B
SCHEMBL8488188 0.77 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE

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 5 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-0578847-B1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO (JP) 1996-10-09 EP disclosed
US-5461045-A Treating thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer and hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0578847-A1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed