SCHEMBL11092097

SCHEMBL11092097

COc1cc2c(cc1C(C)(C)c1ccccc1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11088510 0.84 KMT2A (0.41) HPGDLMNAALDH1A1MAPTMEN1
SCHEMBL11085807 0.82 RAB9A (0.42) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL11086473 0.81 MAOB (0.42) HPGDLMNAALDH1A1MAPTMEN1
SCHEMBL11082331 0.80 MAOB (0.38) HPGDLMNAALDH1A1MAPTHTR2B
SCHEMBL14308419 0.78 ESR1 (0.42) ALDH1A1CTNNB1WNT3A
SCHEMBL5297738 0.76 LMNA (0.49) HPGDLMNAALDH1A1MAPTHTR2A
SCHEMBL14560668 0.72 ALDH1A1 (0.46) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL5458653 0.72 LMNA (0.64) HPGDLMNAALDH1A1MAPTKMT2A
SCHEMBL14552459 0.68 LMNA (0.48) HPGDLMNAALDH1A1MAPTMEN1
SCHEMBL8803195 0.68 LMNA (0.55) HPGDLMNAALDH1A1MAPTCTNNB1

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