SCHEMBL28619632

SCHEMBL28619632

Cc1ccc(-c2cc(=O)c3cccc(Cl)c3o2)cc1OOC(=O)C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 12/20 0.42
▸ CSNK2B P67870 12/20 0.42
▸ CSNK2A1 P68400 12/20 0.42
▸ ABCC1 P33527 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ TERT O14746 1/20 0.37
▸ CYSLTR1 Q9Y271 1/20 0.37
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL28614755 0.86 CSNK2A2 (0.38) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL28920734 0.86 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL28611599 0.81 ALDH1A1 (0.39) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL28921550 0.80 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL28608394 0.80 ALDH1A1 (0.44) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2
SCHEMBL28619683 0.80 HPGD (0.47) CSNK2A2CSNK2BCSNK2A1TERTCYP1A1
SCHEMBL28610264 0.80 ABCB1 (0.45) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL28619630 0.79 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL24605947 0.79 CSNK2A2 (0.44) CSNK2A2CSNK2BCSNK2A1ABCC1ABCG2
SCHEMBL28609026 0.78 ALDH1A1 (0.42) CSNK2A2CSNK2BCSNK2A1CYP1A1CYP1A2

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-113301959-A Substituted chromen-4-ones for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2021-08-24 — — CN disclosed
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