SCHEMBL7777435

SCHEMBL7777435

CCOC(=O)COc1cccc2c1CCC1(COC(=O)N(c3ccccc3)c3ccccc3)CC21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.57
PTGDR Q13258 2/20 0.51
PTGER1 P34995 1/20 0.51
PTGER3 P43115 1/20 0.51
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCB1 P08183 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
CASP9 P55211 1/20 0.34
LMNA P02545 2/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL7772442 0.90 PTGIR (0.70) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7718905 0.84 PTGIR (0.65) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7778581 0.84 PTGIR (0.81) PTGIRPTGDRPTGER1PTGER3ALDH1A1
SCHEMBL7778654 0.83 PTGIR (0.56) PTGIRPTGDRPTGER1PTGER3ALDH1A1
SCHEMBL7778649 0.83 PTGIR (0.66) PTGIRPTGDRPTGER1PTGER3ALDH1A1
SCHEMBL7777449 0.81 PTGIR (0.63) PTGIRPTGDRPTGER1PTGER3ALDH1A1
SCHEMBL8486136 0.80 PTGIR (0.69) PTGIRPTGDRPTGER1PTGER3ALDH1A1
SCHEMBL7772418 0.79 PTGIR (0.47) PTGIRPTGDRPTGER1PTGER3
SCHEMBL7772426 0.79 PTGIR (0.54) PTGIRPTGDRPTGER1PTGER3ALDH1A1
SCHEMBL7776656 0.79 PTGIR (0.80) PTGIRPTGDRPTGER1PTGER3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749424-B1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-12 EP disclosed
US-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed
US-5763489-A ANTICOAGULANTS AND HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
WO-1995024393-A1 NAPHTHALENE DERIVATIVES AS PROSTAGLANDIN I2 AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-14 WO disclosed