SCHEMBL11089475

SCHEMBL11089475

C=CC(c1ccccc1)c1cc2c(cc1OC)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
P4HB P07237 2/20 0.40
SMAD3 P84022 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
TP53 P04637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL11084093 0.87 HPGD (0.42) HPGDLMNAPOLBMAPTTP53
SCHEMBL11091589 0.84 LMNA (0.41) HPGDLMNAGAAALDH1A1ALOX15
SCHEMBL11083004 0.80 CYP1A2 (0.55) HPGDLMNAP4HBSMAD3GAA
SCHEMBL11091535 0.79 P4HB (0.54) P4HBSMAD3GAAMAPTKDM4E
SCHEMBL15145035 0.71 LMNA (0.51) HPGDLMNAPOLBP4HBSMAD3
SCHEMBL8501757 0.69 TDP1 (0.53) HPGDLMNAGAAMAPTKDM4E
SCHEMBL5458653 0.68 LMNA (0.64) HPGDLMNAPOLBMAPTALDH1A1
SCHEMBL7709780 0.68 CYP3A4 (0.72) P4HBSMAD3CYP3A4ALOX15MEN1
SCHEMBL28639731 0.66 KDM4E (0.52) HPGDLMNAMAPTKDM4EALDH1A1
SCHEMBL21363793 0.66 CYP3A4 (0.41) POLBMAPTKDM4EALDH1A1CYP3A4

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
US-4482728-A ANTIFERTILITY AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1984-11-13 US disclosed
US-4357344-A Polybutylbenzylphenols and benzyl-3,4-methylenedioxybenzenes in insect population control THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-11-02 US disclosed
US-4342777-A GROWTH INHIBITOR FOR MOSQUITO LARVAE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1982-08-03 US disclosed