SCHEMBL1711981

SCHEMBL1711981

C=CCOC(C=O)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 2/20 0.35
AOC3 Q16853 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.34
PNMT P11086 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1712648 0.81 TSHR (0.39) TSHRGAALMNAMEN1KMT2A
SCHEMBL1712731 0.80 MEN1 (0.41) TSHRMEN1KMT2ACYP3A4CYP2D6
SCHEMBL12466328 0.76 AOC3 (0.46) ACP3AOC3PNMT
SCHEMBL8330368 0.73 ACP3 (0.38) ACP3TSHRAOC3LMNAMEN1
SCHEMBL1711933 0.71 SLC6A2 (0.35) MEN1KMT2AIDO1ALDH1A1
SCHEMBL17860065 0.71 TACR1 (0.44) AOC3HPGDCYP2D6PNMT
SCHEMBL4728454 0.71 ACP3 (0.36) ACP3AOC3
SCHEMBL7697736 0.69 ACP3 (0.37) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL15331162 0.69 ACP3 (0.46) ACP3TSHRAOC3LMNAMEN1
SCHEMBL9729576 0.69 ACP3 (0.46) ACP3TSHRAOC3LMNAMEN1

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
EP-2344460-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Galapagos N.V. (BE) 2011-07-20 EP disclosed
WO-2010029119-A1 NOVEL IMIDAZOLIDINE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS GALAPAGOS NV (BE) 2010-03-18 WO disclosed