SCHEMBL17192255

SCHEMBL17192255

CCCCCCc1ccc2c(sc3c(C)c(OCCCCC)ccc32)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TYR P14679 1/20 0.39
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 10/20 0.37
CNR1 P21554 8/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
APAF1 O14727 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 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
SCHEMBL17192276 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192286 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192266 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192285 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192260 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192287 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192281 1.00 MAPT (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192252 0.99 MAPT (0.40) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192275 0.97 TYR (0.39) MAPTMEN1HTTKMT2ARAD52
SCHEMBL17192263 0.97 MAPT (0.37) MAPTMEN1HTTKMT2ARAD52

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