SCHEMBL16478407

SCHEMBL16478407

C=C(C)C(=O)OCc1cc(C(C)(C)C)c(C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.36
▸ THRB P10828 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ GAA P10253 5/20 0.33
▸ HTT P42858 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ ATM Q13315 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL785027 0.88 GAA (0.46) TSHRGAAHTTPKMALDH1A1
SCHEMBL15339014 0.76 TSHR (0.42) TSHRTHRBHTTALDH1A1TDP1
SCHEMBL7922433 0.76 HSP90AB1 (0.44) TSHRTHRBHTTALDH1A1TDP1
SCHEMBL11298132 0.76 THRB (0.46) TSHRTHRBGAAHTTPKM
SCHEMBL9315914 0.76 TSHR (0.39) TSHRTHRBHTTALDH1A1TDP1
SCHEMBL21705200 0.76 ALDH1A1 (0.51) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL24325769 0.75 ELANE (0.33) TSHRALDH1A1
SCHEMBL11646076 0.75 THRB (0.45) TSHRTHRBGAAHTTPKM
SCHEMBL11667997 0.75 THRB (0.45) TSHRTHRBGAAHTTPKM
SCHEMBL14867062 0.74 MEN1 (0.50) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691933-B2 Stabilized polyolefin compositions POLNOX CORPORATION (US) 2014-04-08 — — US disclosed
US-8691933-B2 Stabilized polyolefin compositions POLNOX CORPORATION (US) 2014-04-08 — — US disclosed
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