SCHEMBL17192259

SCHEMBL17192259

CCCCc1ccc2c(sc3c(C)c(OCCC)ccc32)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
RAD52 P43351 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 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
SCHEMBL17192307 0.96 MAPT (0.41) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL17192262 0.96 MAPT (0.37) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL17192283 0.95 MAPT (0.40) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL17192261 0.95 MAPT (0.40) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL17192305 0.94 MAPT (0.38) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL17192263 0.93 MAPT (0.37) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL17192250 0.93 MAPT (0.37) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL17192252 0.92 MAPT (0.40) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL17192265 0.92 MAPT (0.38) MAPTALDH1A1KDM4EHPGDCYP1A2
SCHEMBL17192247 0.92 ALDH1A1 (0.44) 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