SCHEMBL13455430

SCHEMBL13455430

CC(C)(C)C(=O)c1cccc(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 1/20 0.61
▸ TRIM24 O15164 1/20 0.45
▸ TRIM33 Q9UPN9 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ ACHE P22303 2/20 0.42
▸ ALOX5 P09917 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NAT1 P18440 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ TTR P02766 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAOA P21397 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CYP2A6 P11509 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15197913 0.87 UNG (0.59) UNGTRIM24TRIM33ALDH1A1ACHE
SCHEMBL10031819 0.82 ACHE (0.52) ACHEALOX5NPSR1TDP1
SCHEMBL22836996 0.81 TTR (0.42) UNGACHEALOX5TTRMAOB
SCHEMBL29957449 0.79 UNG (0.68) UNGTRIM24TRIM33ALDH1A1POLB
SCHEMBL1482839 0.79 UNG (0.68) UNGTRIM24TRIM33ALDH1A1POLB
SCHEMBL13967267 0.78 CA1 (0.46) UNGACHEALOX5TTR
SCHEMBL6853599 0.78 UNG (0.73) UNGTRIM24TRIM33ALDH1A1SRC
SCHEMBL895414 0.77 UNG (0.56) UNGTRIM24TRIM33ALDH1A1POLB
3-Formylbenzoic Acid SCHEMBL266698 0.76 UNG (1.00) UNGTRIM24TRIM33ALDH1A1POLB
SCHEMBL9359052 0.76 ALDH1A1 (0.56) ALDH1A1CYP2A6

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-20170068178-A1 MULTI-LAYER ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2017-03-09 — — US disclosed
US-7671085-B2 Non-steroidal farnesoid X receptor modulators and methods for the use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2010-03-02 — — US disclosed
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