SCHEMBL27636645

SCHEMBL27636645

CC(=O)Cc1ccc2c(c1)Oc1ccccc1C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
AKR1B1 P15121 1/20 0.36
GSTP1 P09211 1/20 0.35
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMAD3 P84022 1/20 0.33
PRMT1 Q99873 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
FTO Q9C0B1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL25704456 0.80 CYP1A2 (0.39) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL22080535 0.77 ESR1 (0.33) CYP3A4
SCHEMBL1241289 0.77 BCHE (0.37)
SCHEMBL27757243 0.75 PDK2 (0.48) ALDH1A1AKR1B1TDP1PDK2
SCHEMBL29360424 0.74 ALOX5 (0.44) MAPTMEN1HTTKMT2AUSP2
SCHEMBL47009 0.74 ALOX5 (0.44) MAPTMEN1HTTKMT2AUSP2
SCHEMBL22879749 0.72 BCHE (0.37)
Hydrochloric Acid SCHEMBL10624869 0.72 ALOX5 (0.42) MAPTMEN1HTTKMT2AUSP2
Hydrochloric Acid SCHEMBL10624875 0.72 ALOX5 (0.42) MAPTMEN1HTTKMT2AUSP2
SCHEMBL31243239 0.72 ALOX5 (0.42) MAPTMEN1HTTKMT2AUSP2

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
CN-1805169-A Surface modified electrodes and devices using reduced organic materials GEN ELECTRIC (US) 2006-07-19 CN disclosed