SCHEMBL28006946

SCHEMBL28006946

CC(O)C(=O)CCc1ccccc1.Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ SELL P14151 1/20 0.40
▸ SELP P16109 1/20 0.40
▸ SELE P16581 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ PARK7 Q99497 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38

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
SCHEMBL28006657 0.90 SELL (0.41) POLBL3MBTL1RECQLMEN1KMT2A
SCHEMBL28006640 0.83 L3MBTL1 (0.44) POLBL3MBTL1RECQLALDH1A1GAA
Phenylethyl Alcohol SCHEMBL28016810 0.82 TDP1 (0.48) POLBALDH1A1KDM4ENPC1RAB9A
SCHEMBL28006639 0.82 L3MBTL1 (0.43) L3MBTL1RECQLALDH1A1GAASELL
SCHEMBL691726 0.81 ALDH1A1 (0.59) L3MBTL1MEN1KMT2AALDH1A1RAB9A
Phenethylamine SCHEMBL27459899 0.81 HTR2A (0.47) POLBL3MBTL1RECQLALDH1A1SELL
SCHEMBL28006630 0.80 POLB (0.44) POLBL3MBTL1RECQLMEN1KMT2A
SCHEMBL28006956 0.78 RARB (0.59) MEN1KMT2AALDH1A1
Benzene SCHEMBL27546363 0.78 KDM4E (0.55) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL28826878 0.77 GPR52 (0.47) POLBALDH1A1KDM4EPARK7HDAC8

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-104428421-A Process for using tobacco KIND CONSUMER LTD 2015-03-18 — — CN disclosed
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