SCHEMBL4358302

SCHEMBL4358302

CC(C)Oc1ccc(C(=O)N2CCC(C3OCc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc4O3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.42
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.39
MAPK7 Q13164 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CYP3A4 P08684 1/20 0.37
SLC9A1 P19634 1/20 0.37
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
GPR119 Q8TDV5 2/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
P2RX7 Q99572 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL4353423 0.88 PIK3CA (0.38) PIK3CAGPR119
SCHEMBL4356473 0.87 PTPN2 (0.43) PIK3CACYP3A4SLC9A1ADAMTS7ADAMTS5
SCHEMBL4537918 0.87 PTPN2 (0.43) PIK3CACYP3A4SLC9A1ADAMTS7ADAMTS5
SCHEMBL4349922 0.87 PTPN2 (0.43) PIK3CACYP3A4SLC9A1ADAMTS7ADAMTS5
SCHEMBL4353588 0.86 PIK3CA (0.43) PIK3CACYP3A4SLC9A1GPR119P2RX7
SCHEMBL4347963 0.85 NPC1 (0.46) PIK3CAPTGS2
SCHEMBL4347838 0.84 NAMPT (0.44) PIK3CAMAPTCYP3A4SLC9A1GPR119
SCHEMBL4347925 0.82 USP30 (0.40) PIK3CAPTGS2GPR119
SCHEMBL4531447 0.82 PIK3CA (0.44) PIK3CAPTGS2CYP3A4SLC9A1GPR119
SCHEMBL4349641 0.82 HRH3 (0.47) PIK3CAHRH3SMN1; 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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed