SCHEMBL17192307

SCHEMBL17192307

CCCCCc1ccc2c(sc3c(C)c(OCCC)ccc32)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAD52 P43351 2/20 0.37
TYR P14679 1/20 0.36
APAF1 O14727 2/20 0.35
THRB P10828 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL17192283 0.99 MAPT (0.40) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192261 0.99 MAPT (0.40) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192259 0.96 MAPT (0.42) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192265 0.96 MAPT (0.38) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192252 0.96 MAPT (0.40) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192275 0.95 TYR (0.39) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192260 0.95 MAPT (0.39) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192287 0.95 MAPT (0.39) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192276 0.95 MAPT (0.39) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17192267 0.95 TYR (0.39) MAPTALDH1A1KDM4EHPGDHTT

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
US-20170362506-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-12-21 US disclosed
US-20160319194-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20150299574-A1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-10-22 US disclosed