SCHEMBL11328985

SCHEMBL11328985

CCOC(=O)CCCN(C(=O)c1cc(Cl)ccc1OC)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 3/20 0.54
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL11335525 0.97 MEN1 (0.56) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL11330108 0.89 TSHR (0.56) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL11300194 0.86 TSHR (0.55) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL11328407 0.84 ALOX5 (0.42) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL11338014 0.82 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL11340956 0.81 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL11314446 0.79 TSHR (0.51) MEN1KMT2ATSHRALDH1A1NPSR1
SCHEMBL11325151 0.78 ALOX5 (0.48) ALDH1A1SMN1; SMN2GAALMNAALOX5
SCHEMBL11296009 0.78 KDM4E (0.40) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL11325178 0.77 TSHR (0.58) MEN1KMT2ATSHRALDH1A1NPSR1

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
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed