SCHEMBL7129933

SCHEMBL7129933

CCS(=O)(=O)c1cc(OC)[c]cc1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14674854 0.84
SCHEMBL1377271 0.81 BRD4 (0.33) ALDH1A1KMT2ALMNA
SCHEMBL28115722 0.79
SCHEMBL21715145 0.78 LMNA (0.45) ALDH1A1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL1424151 0.77
SCHEMBL1637707 0.71 ACHE (0.32)
SCHEMBL28854341 0.68 GAA (0.41) ALDH1A1TSHRMAPK1
SCHEMBL14675866 0.68 POLB (0.31) ALDH1A1
SCHEMBL1637863 0.67 ACHE (0.39)
SCHEMBL15064076 0.67 PTGS2 (0.35)

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
US-6670457-B2 Use for dyeing or printing textile fibre materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-30 US disclosed