SCHEMBL3616728

SCHEMBL3616728

Cc1ccc(OCc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2C)c(-c2ccnc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 8/20 0.45
GUCY1A2 P33402 8/20 0.45
GUCY1A1 Q02108 8/20 0.45
GUCY1B1 Q02153 8/20 0.45
FFAR4 Q5NUL3 1/20 0.41
MCHR1 Q99705 4/20 0.39
KDM4E B2RXH2 1/20 0.39
PPARD Q03181 3/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
PTGER4 P35408 1/20 0.37

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
SCHEMBL3624888 0.91 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3997938 0.88 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3629056 0.87 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3628181 0.87 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3626338 0.87 S1PR1 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3238565 0.86 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3627113 0.86 GUCY1B2 (0.44) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3628362 0.86 GUCY1B2 (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3624902 0.85 KDM4E (0.42) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E
SCHEMBL3618939 0.85 GUCY1B2 (0.45) GUCY1B2GUCY1A2GUCY1A1GUCY1B1KDM4E

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-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO claimed
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-2010015653-A1 PYRIMIDINE DERIVATIVES AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE SMITHKLINE BEECHAM CORPORATION (US) 2010-02-11 WO disclosed