SCHEMBL6549480

SCHEMBL6549480

C=CC(=O)Oc1ccc2c(=S)c3ccccc3oc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 2/20 0.40
MAOB P27338 1/20 0.40
TTR P02766 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
GLA P06280 2/20 0.39
NPBWR1 P48145 1/20 0.39
CA9 Q16790 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38

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
SCHEMBL8836311 0.81 LMNA (0.44) MAOANPC1RAB9AMAPTALDH1A1
SCHEMBL6549453 0.78 LMNA (0.43) MAOANPC1RAB9AMAPTALDH1A1
SCHEMBL85937 0.77 NPC1 (0.45) MAOANPC1RAB9AMAPTALDH1A1
SCHEMBL7917899 0.73 CA9 (0.72) MAOAMAPTALDH1A1KMT2ALMNA
SCHEMBL85949 0.73 KDM4E (0.62) MAOANPC1RAB9AMAPTALDH1A1
SCHEMBL15292034 0.72 ALDH1A1 (0.47) MAPTALDH1A1KMT2AKDM4EL3MBTL1
SCHEMBL9771679 0.71 TYMS (0.49) MAOANPC1RAB9AMAPTALDH1A1
SCHEMBL1459402 0.71 ALDH1A1 (0.72) MAPTALDH1A1KMT2ALMNAMAOB
SCHEMBL31120325 0.71 ALDH1A1 (0.72) MAPTALDH1A1KMT2ALMNAMAOB
SCHEMBL9335140 0.71 THRB (0.38) NPC1RAB9AMAPTALDH1A1KMT2A

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 1 patent. 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