SCHEMBL4534565

SCHEMBL4534565

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
FDFT1 P37268 1/20 0.38
TP53 P04637 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
EPHX2 P34913 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4360439 0.91 TSHR (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4522943 0.90 ALDH1A1 (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4531625 0.90 ALDH1A1 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL4533655 0.90 SMN1; SMN2 (0.47) MAPTSMN1; SMN2HTTKMT2AGPR119
SCHEMBL4349657 0.89 GPR119 (0.44) KDM4EALDH1A1SMN1; SMN2GPR119GAA
SCHEMBL4356877 0.88 ALDH1A1 (0.45) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL4354226 0.88 KDM4E (0.45) KDM4EALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4356808 0.87 SETD7 (0.45) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL4358687 0.87 SMN1; SMN2 (0.46) KDM4EALDH1A1TDP1MAPTSMN1; SMN2
SCHEMBL4524446 0.86 GPR119 (0.40) KDM4EALDH1A1HPGDTDP1HTT

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