SCHEMBL4355488

SCHEMBL4355488

Cc1ccc(C(=O)N2CCC(C3OCc4cc(-c5ccc(S(C)(=O)=O)cc5)ccc4O3)CC2)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
USP30 Q70CQ3 1/20 0.35
KDM1A O60341 2/20 0.35
PIK3CA P42336 5/20 0.35
FASN P49327 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
PTGS2 P35354 1/20 0.33
NR1I2 O75469 3/20 0.33
CACNA1B Q00975 3/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL4355152 0.90 CHRM2 (0.38) ALDH1A1USP30PIK3CANPC1CACNA1B
SCHEMBL4347925 0.84 USP30 (0.40) USP30KDM1APIK3CAPTGS2GPR119
SCHEMBL4537918 0.83 PTPN2 (0.43) ALDH1A1PIK3CAPOLBCA1CA2
SCHEMBL4356473 0.83 PTPN2 (0.43) ALDH1A1PIK3CAPOLBCA1CA2
SCHEMBL4349922 0.83 PTPN2 (0.43) ALDH1A1PIK3CAPOLBCA1CA2
SCHEMBL4353588 0.82 PIK3CA (0.43) USP30PIK3CACYP2C9GPR119
SCHEMBL4355702 0.82 PIK3CA (0.37) USP30PIK3CAPTGS2GPR119
SCHEMBL4357301 0.82 PIK3CA (0.35) USP30KDM1APIK3CAFASNPTGS2
SCHEMBL4347874 0.81 KDM1A (0.41) USP30KDM1APIK3CANPC1GPR119
SCHEMBL4353473 0.81 PTPN2 (0.47) ALDH1A1POLBCA1CA2CA9

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