SCHEMBL20522649

SCHEMBL20522649

CCOC(=O)C1CCN(c2cc(OC)ccc2I)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
POLB P06746 4/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 8/20 0.56
KDM4E B2RXH2 4/20 0.56
LGMN Q99538 2/20 0.55
GAA P10253 4/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 3/20 0.54
MAPK1 P28482 2/20 0.54
HTT P42858 2/20 0.54
HSD17B10 Q99714 2/20 0.54
CASP1 P29466 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 3/20 0.52

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
SCHEMBL20522579 0.86 LGMN (0.74) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL20522578 0.86 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL3436572 0.85 ALDH1A1 (0.66) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL3436027 0.83 LGMN (0.64) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL20522603 0.82 MAPT (0.63) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL3139067 0.80 MAPT (0.67) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL22712774 0.79 KMT2A (0.51) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL13896504 0.79 ALDH1A1 (0.69) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL22712744 0.79 ALDH1A1 (0.56) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL20522647 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2APOLBTDP1

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
EP-3601260-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
CN-110678458-A Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders 武田药品工业株式会社 2020-01-10 CN disclosed
WO-2018182050-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed