SCHEMBL22912458

SCHEMBL22912458

CC(C)(C)N(Cc1cccc(-c2cccc(-c3ccccc3)c2)c1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.49
PTGES O14684 2/20 0.46
AGXT P21549 1/20 0.44
GGPS1 O95749 2/20 0.44
BCL2 P10415 1/20 0.42
ABHD6 Q9BV23 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ACLY P53396 1/20 0.40
HTR7 P34969 1/20 0.40
KMO O15229 1/20 0.39
CHKA P35790 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL22912454 0.98 AOC3 (0.50) AOC3PTGESAGXTGGPS1BCL2
SCHEMBL17278867 0.81 TAAR1 (0.61) PTGESAGXTTAAR1
SCHEMBL74267 0.80 TSHR (0.54) AOC3TAAR1
SCHEMBL29864624 0.77 TAAR1 (0.67) AOC3PTGESAGXTABHD6TAAR1
SCHEMBL3464184 0.77 TAAR1 (0.67) AOC3PTGESAGXTABHD6TAAR1
Hydrochloric Acid SCHEMBL7975188 0.74 AOC3 (0.55) AOC3PTGESTAAR1
SCHEMBL3357853 0.72 TRPA1 (0.56) AOC3PTGESAGXTGGPS1BCL2
SCHEMBL8056771 0.72 SIGMAR1 (0.56) AOC3PTGESTAAR1
SCHEMBL16675041 0.71 TRPA1 (0.54) AOC3PTGESAGXTGGPS1BCL2
SCHEMBL16675050 0.71 TRPA1 (0.54) AOC3PTGESAGXTGGPS1BCL2

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
US-20210020852-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 US disclosed