SCHEMBL10035481

SCHEMBL10035481

Cc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(O)cc4)cc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
ESR1 P03372 1/20 0.74
ESR2 Q92731 1/20 0.74
ACHE P22303 2/20 0.68
LTA4H P09960 6/20 0.65
NR1H2 P55055 1/20 0.61
BAX Q07812 1/20 0.61
TEAD4 Q15561 1/20 0.58
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
MMP13 P45452 1/20 0.50
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL3002512 1.00 MEN1 (0.74) MEN1KMT2AESR1ESR2ACHE
SCHEMBL1101891 1.00 MEN1 (0.74) MEN1KMT2AESR1ESR2ACHE
Hydroquinone SCHEMBL10909082 1.00 MEN1 (0.74) MEN1KMT2AESR1ESR2ACHE
SCHEMBL15681790 0.93 ESR2 (0.64) MEN1KMT2AESR1ESR2ACHE
SCHEMBL14311177 0.93 ESR2 (0.64) MEN1KMT2AESR1ESR2ACHE
SCHEMBL10035479 0.93 ESR2 (0.64) MEN1KMT2AESR1ESR2ACHE
SCHEMBL12895539 0.87 NR1H2 (0.56) MEN1KMT2AESR1ESR2ACHE
Diphenylether SCHEMBL9443173 0.86 LTA4H (0.71) MEN1KMT2AESR1ESR2ACHE
SCHEMBL83863 0.86 TEAD4 (0.74) MEN1KMT2AESR1ESR2ACHE
SCHEMBL249169 0.86 ESR2 (1.00) MEN1KMT2AESR1ESR2LTA4H

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-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed