SCHEMBL7778663

SCHEMBL7778663

CCOC(=O)[C@]1(O)CCc2c(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cccc2[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.39
HSD17B10 Q99714 1/20 0.34
OPRM1 P35372 8/20 0.33
OPRD1 P41143 6/20 0.33
OPRK1 P41145 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL7772424 1.00 PTGIR (0.39) PTGIRHSD17B10OPRM1OPRD1OPRK1
SCHEMBL7772413 0.77 MAPT (0.37) HSD17B10CYP1A2CYP2C19MAPTACHE
SCHEMBL9017256 0.76 ACHE (0.34) CYP1A2MAPTTP53ACHE
SCHEMBL7720284 0.74 PTGIR (0.61) PTGIR
SCHEMBL7777236 0.72 ADRA2A (0.31) SMN1; SMN2
SCHEMBL7778493 0.72 GAA (0.35) HSD17B10SMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL7779788 0.71 PTGIR (0.45) PTGIRHSD17B10
SCHEMBL7779781 0.71 ALDH1A1 (0.37) HSD17B10RAB9AALDH1A1GAAMAPT
SCHEMBL7484758 0.71 KMT2A (0.46) ACHE
SCHEMBL7495469 0.71 KMT2A (0.46) ACHE

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