SCHEMBL16004256

SCHEMBL16004256

Cc1cc(C)c(S(=O)(=O)N2CCOc3ccc(COCc4ccccc4)cc3C2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
RORC P51449 1/20 0.37
RAB9A P51151 1/20 0.37
FGB P02675 1/20 0.37
GPR142 Q7Z601 1/20 0.36

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
SCHEMBL16004100 0.86 EBP (0.44) L3MBTL1ALDH1A1MEN1KMT2ARORC
SCHEMBL16004010 0.82 PKM (0.55) ALDH1A1LMNAHTTGAAMEN1
SCHEMBL16004328 0.82 ALDH1A1 (0.43) L3MBTL1MAPTALDH1A1LMNAHTT
SCHEMBL16004337 0.82 LMNA (0.51) POLBMAPTALDH1A1LMNAGAA
SCHEMBL16004016 0.81 PKM (0.43) L3MBTL1MAPTALDH1A1LMNAHTT
SCHEMBL16004161 0.80 MAPK1 (0.47) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL16004338 0.80 LMNA (0.39) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL16004020 0.80 PKM (0.40) L3MBTL1POLBMAPTALDH1A1LMNA
SCHEMBL16004329 0.79 MAPK1 (0.54) L3MBTL1MAPTALDH1A1LMNAHTT
SCHEMBL16004259 0.79 TSHR (0.49) POLBMAPTALDH1A1LMNAHTT

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-2014133414-A2 HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ ЛЛС (US) 2014-09-04 WO disclosed