SCHEMBL6551633

SCHEMBL6551633

CCCc1nc(SCC)c(OC(=O)OCC)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SOAT1 P35610 1/20 0.30

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
SCHEMBL6552154 0.83 ALDH1A1 (0.35) MAPTALDH1A1SMN1; SMN2SOAT1
SCHEMBL8046651 0.68 ALDH1A1 (0.43) TSHRMAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7756478 0.64 ALDH1A1 (0.37) ALOX5TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL5809049 0.63 ALDH1A1 (0.47) TSHRMAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7760150 0.62 ALDH1A1 (0.35) ALOX5TSHRALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1275935 0.62 ALDH1A1 (0.46) TSHRMAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10438826 0.61 ALDH1A1 (0.40) ALOX5MAPTALDH1A1CYP1A2NPC1
SCHEMBL4356883 0.61 ALDH1A1 (0.49) TSHRALDH1A1CYP1A2SMN1; SMN2
SCHEMBL9137641 0.61 ALDH1A1 (0.65) TSHRMAPTALDH1A1CYP1A2NPC1
SCHEMBL7268595 0.60 ALDH1A1 (0.41) MAPTALDH1A1CYP1A2NPC1RAB9A

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-1051402-B1 METHOD FOR PRODUCING S-ALKYL(ARYL)-SUBSTITUTED IMIDAZOLE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2004-12-08 EP disclosed
EP-1051402-A1 METHOD FOR PRODUCING S-ALKYL(ARYL)-SUBSTITUTED IMIDAZOL DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2000-11-15 EP disclosed
WO-1999037620-A1 METHOD FOR PRODUCING S-ALKYL(ARYL)-SUBSTITUTED IMIDAZOL DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 WO disclosed