SCHEMBL29028231

SCHEMBL29028231

CC=CC(=O)OC(CCC)CCOc1ccc(C2(c3ccc(OCCC(CCC)OC(=O)C=CC)cc3)CCc3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
KIF11 P52732 2/20 0.32
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL29028293 0.84 TSHR (0.34) LMNATSHRMEN1KMT2AHPGD
SCHEMBL29028230 0.82 MEN1 (0.35) LMNATSHRMEN1KMT2AMAPT
SCHEMBL21829172 0.81 MEN1 (0.38) CHRNA7LMNATSHRMEN1KMT2A
SCHEMBL21829167 0.78 HDAC9 (0.36) KMT2AMAPTPOLBKIF11
SCHEMBL29028353 0.77 CHRNA7 (0.37) CHRNA7LMNATSHRMEN1KMT2A
SCHEMBL21829161 0.76 MEN1 (0.35) CHRNA7LMNATSHRMEN1KMT2A
SCHEMBL21829174 0.72 MEN1 (0.41) CHRNA7LMNATSHRMEN1KMT2A
SCHEMBL23524463 0.72 THRB (0.56) CHRNA7LMNATSHRMEN1KMT2A
SCHEMBL2946113 0.71 ALDH1A1 (0.46) CHRNA7LMNATSHRMEN1KMT2A
SCHEMBL28401840 0.71 CHRNA7 (0.38) CHRNA7LMNAKMT2AHPGDMAPT

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-110392864-B Negative photosensitive resin composition, cured film, element and organic EL display having cured film, and method for producing same 东丽株式会社 2023-05-23 CN disclosed