SCHEMBL6549453

SCHEMBL6549453

C=COC(=O)Oc1ccc2oc3ccccc3c(=S)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAOA P21397 1/20 0.40
NPC1 O15118 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ACSL1 P33121 4/20 0.38
ACSL6 Q9UKU0 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ACSL3 O95573 1/20 0.37
PTGER4 P35408 1/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL6549480 0.78 MAOA (0.46) LMNAMAOANPC1RAB9AL3MBTL1
SCHEMBL22730027 0.73 LMNA (0.80) LMNANPC1POLBRAB9AMAPT
SCHEMBL4393859 0.72 MAOA (0.67) LMNAMAOANPC1POLBRAB9A
SCHEMBL22730028 0.72 ALDH1A1 (0.59) LMNAMAOANPC1POLBRAB9A
SCHEMBL6828889 0.72 LMNA (0.60) LMNAMAOANPC1RAB9AMAPT
SCHEMBL29226925 0.70 KMT2A (0.31) MAPTRXFP1KMT2AALDH1A1PPARG
SCHEMBL16520827 0.70 KMT2A (0.50) LMNANPC1POLBRAB9AL3MBTL1
SCHEMBL6240234 0.69 LMNA (0.66) LMNAMAOANPC1POLBRAB9A
SCHEMBL22730026 0.69 PPARG (0.49) LMNAMAOAMAPTALDH1A1PPARG
SCHEMBL16583199 0.69 KMT2A (0.42) LMNAPOLBRAB9AMAPTKMT2A

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
EP-1135219-B1 METHOD FOR PRODUCING ADHESIVE SURFACE COATINGS CIBA SC HOLDING AG (CH) 2004-01-28 EP disclosed
EP-1135219-A1 METHOD FOR PRODUCING ADHESIVE SURFACE COATINGS Ciba SC Holding AG (CH) 2001-09-26 EP disclosed
WO-2000024527-A1 METHOD FOR PRODUCING ADHESIVE SURFACE COATINGS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-05-04 WO disclosed