SCHEMBL4540988

SCHEMBL4540988

CCCCCCCCCCCCc1cccc2sc3ccc(C)cc3c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
RAD52 P43351 1/20 0.36
BID P55957 3/20 0.36
MCL1 Q07820 3/20 0.36
BCL2L1 Q07817 2/20 0.36
BAK1 Q16611 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EP300 Q09472 1/20 0.36
KAT2A Q92830 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 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
SCHEMBL29554620 1.00 MAPT (0.38) MAPTHTTELANECTSGMEN1
SCHEMBL29447754 0.86 MAPT (0.44) MAPTELANECTSGMEN1NPC1
SCHEMBL29904752 0.86 MAPT (0.44) MAPTELANECTSGMEN1NPC1
SCHEMBL156107 0.86 MAPT (0.44) MAPTELANECTSGMEN1NPC1
SCHEMBL28756839 0.86 MAPT (0.44) MAPTELANECTSGMEN1NPC1
SCHEMBL4912934 0.86 MAPT (0.44) MAPTELANECTSGMEN1NPC1
SCHEMBL4536100 0.81 GPR35 (0.39) MAPTMEN1KMT2ABIDMCL1
SCHEMBL2419726 0.80 MAPT (0.46) MAPTHTTMEN1NPC1RAB9A
SCHEMBL10791944 0.78 RORA (0.46) MAPTHTTNPC1RAB9AKDM4E
SCHEMBL9299449 0.77 LIPG (0.46) BIDMCL1BCL2L1BAK1KAT8

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
CN-107073759-A Photocurable composition 蓝宝迪有限公司 2017-08-18 CN disclosed
EP-2638027-A1 LOW-EXTRACTABLE THIOXANTHONES Lamberti SpA (IT) 2013-09-18 EP disclosed
WO-2012062692-A1 LOW-EXTRACTABLE THIOXANTHONES LAMBERTI SPA (IT) 2012-05-18 WO disclosed