SCHEMBL5358230

SCHEMBL5358230

CCCCCCOCc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
DPP4 P27487 1/20 0.40
NR5A1 Q13285 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL5935764 1.00 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL7444567 0.85 MAPK1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL27644613 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL3800939 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL5831640 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL5832097 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL28429032 0.85 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL8906376 0.81 TAAR1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL8906381 0.81 TAAR1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL8905219 0.79 SLC1A3 (0.44) ALDH1A1TSHRMAPK1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223833-B1 Peptide nucleic acid conjugates ISIS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed
EP-0804456-B1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 2002-08-21 EP disclosed
EP-0804456-A4 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS INC (US) 1999-05-19 EP disclosed
EP-0804456-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1997-11-05 EP disclosed
WO-1996011205-A9 PEPTIDE NUCLEIC ACID CONJUGATES 1996-05-30 WO disclosed
WO-1996011205-A1 PEPTIDE NUCLEIC ACID CONJUGATES ISIS PHARMACEUTICALS, INC. (US) 1996-04-18 WO disclosed