SCHEMBL4522943

SCHEMBL4522943

COC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCC4(C)CC4)CC2)O3)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 1/20 0.36
GPR119 Q8TDV5 3/20 0.36
PKM P14618 1/20 0.34
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
EPHX2 P34913 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4534628 0.91 GPR119 (0.40) GPR119TSHR
SCHEMBL4353425 0.91 SCD5 (0.36) ALDH1A1GPR119KDM4E
SCHEMBL4534565 0.90 KDM4E (0.40) ALDH1A1GPR119HPGDMAPTTHRB
SCHEMBL4350015 0.89 GPR119 (0.41) ALDH1A1GPR119MEN1KMT2AHDAC1
SCHEMBL4353651 0.89 KCNH2 (0.38) ALDH1A1RAB9AHPGDMAPTMEN1
SCHEMBL4352065 0.89 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4356470 0.88 GPR119 (0.38) GPR119MEN1KMT2A
SCHEMBL4352615 0.88 POLB (0.39) GPR119HPGDMEN1KMT2AROCK2
SCHEMBL4350129 0.88 KDM4E (0.37) ALDH1A1RAB9AGPR119KDM4E
SCHEMBL4348559 0.86 MAPK14 (0.37) ALDH1A1GPR119KDM4E

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