SCHEMBL4534628

SCHEMBL4534628

CC1(COC(=O)N2CCC(C3OCc4cc(-c5ccc(C(=O)O)cc5)ccc4O3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.40
TSHR P16473 1/20 0.35
RXRA P19793 6/20 0.33
NR4A2 P43354 3/20 0.33
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL4522943 0.91 ALDH1A1 (0.36) GPR119TSHR
SCHEMBL4353425 0.91 SCD5 (0.36) GPR119
SCHEMBL4360439 0.90 TSHR (0.44) GPR119TSHRCHRM2
SCHEMBL4352615 0.90 POLB (0.39) GPR119
SCHEMBL4356470 0.90 GPR119 (0.38) GPR119
SCHEMBL4350015 0.89 GPR119 (0.41) GPR119CHRM2
SCHEMBL4353651 0.89 KCNH2 (0.38)
SCHEMBL4350129 0.88 KDM4E (0.37) GPR119CHRM2
SCHEMBL4352065 0.87 ALDH1A1 (0.39) CHRM2
SCHEMBL4348559 0.86 MAPK14 (0.37) GPR119CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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