SCHEMBL4360439

SCHEMBL4360439

CCOC(=O)N1CCC(C2OCc3cc(-c4ccc(C(=O)O)cc4)ccc3O2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
GPR119 Q8TDV5 4/20 0.39
KDM5C P41229 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BRD4 O60885 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 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
SCHEMBL4534565 0.91 KDM4E (0.40) TSHRALDH1A1MAPTKMT2AGAA
SCHEMBL4534628 0.90 GPR119 (0.40) TSHRGPR119CHRM2
SCHEMBL4531625 0.90 ALDH1A1 (0.40) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL4356808 0.89 SETD7 (0.45) ALDH1A1MEN1KMT2AGAAGPR119
SCHEMBL4349657 0.89 GPR119 (0.44) ALDH1A1GAAGPR119KDM4ECHRM2
SCHEMBL4524446 0.88 GPR119 (0.40) ALDH1A1MEN1KMT2AGAAGPR119
SCHEMBL4356877 0.88 ALDH1A1 (0.45) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL4536702 0.88 GPR119 (0.49) GPR119
SCHEMBL4358687 0.87 SMN1; SMN2 (0.46) ALDH1A1MAPTKDM4ELMNACHRM2
SCHEMBL4354226 0.86 KDM4E (0.45) ALDH1A1MEN1KMT2AKDM4EHPGD

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