SCHEMBL9005627

SCHEMBL9005627

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 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
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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
SCHEMBL9005623 1.00 PTGIR (0.45) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL8414237 0.87 PTGIR (0.45) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9005729 0.87 PTGIR (0.45) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9017314 0.82 MTNR1A (0.50) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9017305 0.80 MTNR1A (0.48) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL8576525 0.80 PTGIR (0.62) PTGIR
SCHEMBL8488188 0.77 MTNR1A (0.60) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10464119 0.77 MTNR1A (0.74) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL8576529 0.77 MTNR1A (0.48) PTGIRMTNR1AMTNR1BCA1CA2
SCHEMBL9005706 0.77 PTGIR (0.47) PTGIRDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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