SCHEMBL3997108

SCHEMBL3997108

Cc1cc(-c2ccc(C(F)(F)F)cc2)ccc1COc1ccccc1-c1cccc(N2CCC(C(=O)O)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
GUCY1B2 O75343 14/20 0.43
GUCY1A2 P33402 14/20 0.43
GUCY1A1 Q02108 14/20 0.43
GUCY1B1 Q02153 14/20 0.43
S1PR1 P21453 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4004104 0.92 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3997114 0.90 ITGB2 (0.43) ITGB2ICAM1ITGALGUCY1B2GUCY1A2
SCHEMBL3627858 0.89 GUCY1B2 (0.44) ITGB2ICAM1ITGALGUCY1B2GUCY1A2
SCHEMBL3230171 0.88 L3MBTL1 (0.46) ITGB2ICAM1ITGALGUCY1B2GUCY1A2
SCHEMBL4003135 0.88 PTGDR2 (0.43) ITGB2ICAM1ITGALGUCY1B2GUCY1A2
SCHEMBL3997130 0.87 SCN9A (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL3998766 0.87 GUCY1B2 (0.40) ITGB2ICAM1ITGALGUCY1B2GUCY1A2
SCHEMBL3997026 0.84 SCN9A (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CD274
SCHEMBL3995946 0.84 CYP2C9 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1S1PR1
SCHEMBL3997938 0.84 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP claimed
WO-2015095515-A1 SGC ACTIVATORS FOR THE TREATMENT OF GLAUCOMA NOVARTIS AG (CH) 2015-06-25 WO disclosed
EP-2594270-A2 The use of sGC stimulators, sGC activators, alone and combinations with PDE5 inhibitors for the treatment of systemic sclerosis (SSc) BIP Patents (DE) 2013-05-22 EP disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed