SCHEMBL3229933

SCHEMBL3229933

CCc1ccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2C)c(-c2csc(N3CCC(C(=O)O)CC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
GUCY1B2 O75343 16/20 0.40
GUCY1A2 P33402 16/20 0.40
GUCY1A1 Q02108 16/20 0.40
GUCY1B1 Q02153 16/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL14952879 0.93 GUCY1B2 (0.46) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3225181 0.93 GUCY1B2 (0.42) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3236714 0.86 SMN1; SMN2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3263161 0.86 GUCY1B2 (0.41) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3230940 0.86 GUCY1B2 (0.39) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3231416 0.85 GUCY1B2 (0.46) GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3228958 0.85 GUCY1B2 (0.48) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3228941 0.85 GUCY1B2 (0.47) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2
SCHEMBL3229937 0.84 PTGDR2 (0.41) L3MBTL1GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL3224902 0.84 GUCY1B2 (0.41) GUCY1B2GUCY1A2GUCY1A1GUCY1B1SMN1; SMN2

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 3 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-2010015652-A2 THIAZOLE COMPOUNDS 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