SCHEMBL9005688

SCHEMBL9005688

OCC1CCc2c(O)cccc2C1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.62
DRD2 P14416 9/20 0.60
DRD3 P35462 9/20 0.60
DRD4 P21917 4/20 0.52
HTR1A P08908 1/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
HTR7 P34969 1/20 0.52
ADRB2 P07550 1/20 0.52
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL7776686 0.85 DRD2 (0.63) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL3174365 0.84 CYP19A1 (0.59) CYP19A1DRD2DRD3HTR1A
Bromide SCHEMBL9688708 0.83 DRD2 (0.61) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL29062570 0.82 DRD2 (0.59) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL29062621 0.82 DRD2 (0.59) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL8413532 0.81 CYP19A1 (0.57) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL7777377 0.78 CYP19A1 (0.64) CYP19A1DRD2DRD3DRD4CA1
SCHEMBL1261038 0.77 DRD2 (0.66) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL13487690 0.77 DRD2 (0.66) CYP19A1DRD2DRD3DRD4HTR1A
SCHEMBL8410457 0.76 CA1 (0.52) 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 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