SCHEMBL13625646

SCHEMBL13625646

O=C(O[C@@H]1CCc2ccccc21)c1cc(CO)cc(C(=O)O[C@@H]2CCc3ccccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRM4 P08173 2/20 0.39
DRD2 P14416 2/20 0.39
HTR7 P34969 2/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 3/20 0.38
HTR2C P28335 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
AVPR1A P37288 1/20 0.38
OPRK1 P41145 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 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
SCHEMBL8558598 0.82 IDO1 (0.53) IDO1TDP1KDM4EALDH1A1MAPT
SCHEMBL29590253 0.75 IDO1 (0.59) IDO1CHRM4DRD2HTR7FFAR1
SCHEMBL11142136 0.75 IDO1 (0.59) IDO1CHRM4DRD2HTR7FFAR1
SCHEMBL14062665 0.75 ALDH1A1 (0.47) IDO1ALDH1A1MAPTKMT2AFFAR1
SCHEMBL8308445 0.74 IDO1 (0.58) IDO1TDP1KDM4EALDH1A1MAPT
SCHEMBL9722001 0.73 IDO1 (0.55) IDO1KDM4EALDH1A1KMT2AFFAR1
SCHEMBL30908530 0.72 IDO1 (0.56) IDO1CHRM4DRD2HTR7FFAR1
SCHEMBL2175357 0.72 IDO1 (0.61) IDO1CHRM4DRD2HTR7FFAR1
SCHEMBL817976 0.72 IDO1 (0.56) IDO1CHRM4DRD2HTR7FFAR1
SCHEMBL1455049 0.72 IDO1 (0.56) IDO1CHRM4DRD2HTR7FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136001-A1 PROTEIN KINASE MODULATING AGENTS TUOMINEN RAIMO (FI) 2009-11-12 WO disclosed