SCHEMBL6714976

SCHEMBL6714976

CC1(C)OCC(CCOS(=O)(=O)c2ccc3ccccc3c2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 4/20 0.38
PKM P14618 2/20 0.36
MAPK14 Q16539 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
Pyridine SCHEMBL6528715 0.93 ALDH1A1 (0.38) CA2ALDH1A1L3MBTL1POLBLMNA
SCHEMBL10517217 0.88 CA2 (0.52) CA2ALDH1A1L3MBTL1POLBLMNA
SCHEMBL10517221 0.88 CA2 (0.52) CA2ALDH1A1L3MBTL1POLBLMNA
SCHEMBL3498665 0.82 CA2 (0.42) CA2ALDH1A1LMNAPKMMAPK14
SCHEMBL3490631 0.82 CA2 (0.46) CA2ALDH1A1PKMMAPK14MAPK1
SCHEMBL2724163 0.82 CA2 (0.46) CA2ALDH1A1PKMMAPK14MAPK1
SCHEMBL879857 0.82 CA2 (0.46) CA2ALDH1A1PKMMAPK14MAPK1
SCHEMBL2885300 0.79 CA2 (0.43) CA2ALDH1A1PKMMAPK1KDM4E
SCHEMBL2859063 0.77 CA2 (0.41) CA2ALDH1A1PKMMAPK14MAPK1
SCHEMBL15000836 0.75 LMNA (0.55) CA2ALDH1A1L3MBTL1LMNAPKM

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-20040249067-A1 Novel polymer compositions FOX MARTIN EDWARD (GB) 2004-12-09 US disclosed