SCHEMBL7050461

SCHEMBL7050461

CCOC(=O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccccc1)c1ccc(Br)cc1)C2

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 6/20 0.73
PTGDR Q13258 2/20 0.73
PTGER1 P34995 1/20 0.73
PTGER3 P43115 1/20 0.73
ABCB1 P08183 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
CASP9 P55211 1/20 0.33
GAA P10253 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL7778514 0.95 PTGIR (0.80) PTGIRPTGDRPTGER1PTGER3ABCB1
SCHEMBL7776656 0.95 PTGIR (0.80) PTGIRPTGDRPTGER1PTGER3ABCB1
SCHEMBL7778523 0.95 PTGIR (0.80) PTGIRPTGDRPTGER1PTGER3ABCB1
SCHEMBL7047631 0.92 PTGIR (0.74) PTGIRPTGDRPTGER1PTGER3ABCB1
SCHEMBL7048691 0.90 PTGIR (0.89) PTGIRPTGDRPTGER1PTGER3PTGDR2
SCHEMBL7050841 0.90 PTGIR (0.69) PTGIRPTGDRPTGER1PTGER3USP2
SCHEMBL8485899 0.87 PTGIR (0.67) PTGIRPTGDRPTGER1PTGER3ABCB1
SCHEMBL7054735 0.87 PTGIR (0.65) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7777449 0.86 PTGIR (0.63) PTGIRPTGDRPTGER1PTGER3ABCB1
SCHEMBL7748560 0.85 PTGIR (0.66) PTGIRPTGDRPTGER1PTGER3

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
EP-1042277-B1 NAPHTHALENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-04-23 EP disclosed
US-6303649-B1 FOR THERAPY AND PROPHYLAXIS OF ARTERIAL OBSTRUCTION, CEREBROVASCULAR DISEASE, HEPATIC CIRRHOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASE, RESTENOSIS, ISCHEMIC COMPLICATIONS AFTER CORONARY ANGIOPLASTY, HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-16 US disclosed