SCHEMBL11030679

SCHEMBL11030679

Cc1cc(CCO)cc(CCO)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
BACE1 P56817 1/20 0.33
CDK8 P49336 1/20 0.33
CA2 P00918 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4270992 0.84 TDP1 (0.40) GAATDP1KDM4EALDH1A1ALOX5
SCHEMBL2567549 0.82 TNKS2 (0.35) KMT2AGAAMEN1MAPK1THRB
SCHEMBL11699836 0.81 NOS2 (0.42) KMT2AGAAMEN1MAPK1
SCHEMBL7349175 0.78 MAPK1 (0.36) KMT2AGAAMEN1MAPK1TDP1
SCHEMBL21590387 0.78 CYP1A2 (0.36) KMT2AGAAMEN1MAPK1THRB
SCHEMBL16548415 0.77 NOS2 (0.47) HSD17B10KDM4EALDH1A1MAPTBACE1
SCHEMBL15277643 0.77 SLC6A3 (0.39) KMT2AGAAMEN1MAPK1THRB
SCHEMBL11014433 0.75 CCR1 (0.44) MAPK1TDP1HSD17B10KDM4EALDH1A1
SCHEMBL11030024 0.74 ACHE (0.42) KMT2AGAAMEN1MAPK1THRB
SCHEMBL11732278 0.72 PTGS2 (0.47) MAPK1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0085030-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIVINYL PYRIDINES, AND SUBSTITUTED DIVINYL PYRIDINES CIBA-GEIGY AG (CH) 1985-05-22 EP claimed
EP-0085030-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED DIVINYL PYRIDINES, AND SUBSTITUTED DIVINYL PYRIDINES CIBA-GEIGY AG (CH) 1985-05-22 EP disclosed
US-4477673-A Process for the preparation of substituted divinylpyridines and novel substituted divinylpyridines CIBA-GEIGY CORPORATION (US) 1984-10-16 US disclosed
EP-0085030-A1 Process for the preparation of substituted divinyl pyridines, and substituted divinyl pyridines CIBA-GEIGY AG (CH) 1983-08-03 EP disclosed