SCHEMBL29953082

SCHEMBL29953082

CC(C)Oc1ncccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRIM24 O15164 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.40
▸ ALDH1A3 P47895 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ ALOX5AP P20292 2/20 0.37
▸ FEN1 P39748 2/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2600013 1.00 TRIM24 (0.47) TRIM24TRIM33ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL26123525 0.94 TRIM24 (0.42) TRIM24TRIM33ADRA2AADRA2BADRA2C
SCHEMBL16114579 0.82 TRPV4 (0.53) TRIM24TRIM33ADRA2AADRA2BADRA2C
SCHEMBL209651 0.79 TRIM24 (0.52) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL29953915 0.79 TRIM24 (0.52) TRIM24TRIM33KMT2AMEN1LMNA
SCHEMBL29118011 0.79 TRIM24 (0.44) TRIM24TRIM33ADRA2AADRA2BADRA2C
SCHEMBL17063991 0.78 ALDH1A1 (0.44) SLC13A5KMT2AALOX5APFEN1LRRK2
SCHEMBL17063992 0.78 ALDH1A1 (0.44) SLC13A5KMT2AALOX5APFEN1LRRK2
SCHEMBL871969 0.76 ALDH1A1 (0.51) TRIM24TRIM33SLC13A5LMNANPC1
SCHEMBL29953656 0.76 ALDH1A1 (0.51) TRIM24TRIM33SLC13A5LMNANPC1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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