SCHEMBL7051528

SCHEMBL7051528

CCOC(=O)COc1cccc2c1CC[C@](O)(COC(=O)N(c1ccc(F)cc1)c1ccccc1F)C2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 5/20 0.62
PTGER1 P34995 1/20 0.62
PTGER3 P43115 1/20 0.62
PTGDR Q13258 1/20 0.62
AGTR2 P50052 1/20 0.36
RAB9A P51151 1/20 0.35
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.33
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
ADRB2 P07550 1/20 0.32
NLRP3 Q96P20 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
SCHEMBL7153256 0.94 PTGIR (0.61) PTGIRPTGER1PTGER3PTGDRRAB9A
SCHEMBL7050841 0.93 PTGIR (0.69) PTGIRPTGER1PTGER3PTGDRLMNA
SCHEMBL7047631 0.92 PTGIR (0.74) PTGIRPTGER1PTGER3PTGDRLMNA
SCHEMBL7050867 0.90 PTGIR (0.77) PTGIRPTGER1PTGER3PTGDRAGTR2
SCHEMBL7054735 0.88 PTGIR (0.65) PTGIRPTGER1PTGER3PTGDR
SCHEMBL7776656 0.87 PTGIR (0.80) PTGIRPTGER1PTGER3PTGDRRAB9A
SCHEMBL7778523 0.87 PTGIR (0.80) PTGIRPTGER1PTGER3PTGDRRAB9A
SCHEMBL7778514 0.87 PTGIR (0.80) PTGIRPTGER1PTGER3PTGDRRAB9A
SCHEMBL7748560 0.85 PTGIR (0.66) PTGIRPTGER1PTGER3PTGDR
SCHEMBL7054777 0.85 PTGIR (0.66) PTGIRPTGER1PTGER3PTGDR

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