SCHEMBL4964744

SCHEMBL4964744

CCCc1cc(CCSc2c(C)cccc2C)ccc1OCOC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HTT P42858 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
APAF1 O14727 2/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAD52 P43351 2/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 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
SCHEMBL282560 0.81 KCNH2 (0.36) L3MBTL1MEN1KMT2ALMNACALM1
SCHEMBL4201188 0.72 GABRA1 (0.40) ALOX5GABRA1GABRB2HTTMAPT
SCHEMBL4034974 0.71 GABRA1 (0.42) ALOX5GABRA1GABRB2HTTMAPT
SCHEMBL4189061 0.71 THRB (0.40) ALOX5GABRA1GABRB2HTTMAPT
SCHEMBL4185116 0.68 SMN1; SMN2 (0.42) HTTMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL14586637 0.66 ATM (0.51) NPC1SMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL4960984 0.66 GABRA1 (0.36) ALOX5GABRA1GABRB2THRB
SCHEMBL12356976 0.65 AKT1 (0.40) HTTMAPTMAPK1L3MBTL1KMT2A
SCHEMBL2128468 0.65 GABRA1 (0.38) ALOX5GABRA1GABRB2MAPK1MEN1
SCHEMBL28131611 0.65 ALOX5 (0.54) ALOX5GABRA1GABRB2ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1890768-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2008-02-27 EP disclosed
WO-2006128056-A2 NOVEL PHOSPHINIC ACID-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2006-11-30 WO disclosed