SCHEMBL11091308

SCHEMBL11091308

CCCCCOc1cc2c(cc1Cc1ccc(OC)cc1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL11091581 0.91 HTR2A (0.43) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11090673 0.86 EDNRA (0.43) ALDH1A1
SCHEMBL11085728 0.81 KMT2A (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL11084898 0.81 MEN1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11086620 0.77 HTR2A (0.48) ALDH1A1KMT2A
SCHEMBL11091375 0.75 CYP1A2 (0.42) ALDH1A1MEN1MAPTKMT2A
SCHEMBL11090689 0.74 CYP1A2 (0.44) ALDH1A1MEN1MAPTKMT2A
SCHEMBL11080627 0.72 ALDH1A1 (0.49) ALDH1A1
SCHEMBL11090434 0.71 CYP3A4 (0.59) MEN1KMT2A
SCHEMBL14618159 0.71 NR5A1 (0.58)

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