SCHEMBL28296766

SCHEMBL28296766

Cc1cccc(O)c1C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.45
ATM Q13315 1/20 0.45
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.37
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
ACP3 P15309 1/20 0.37
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
ALOX15 P16050 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX12 P18054 2/20 0.37
POLB P06746 2/20 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
SCHEMBL4657611 0.89 GABRA1 (0.42) TRPA1ATMGAAL3MBTL1ALDH1A1
SCHEMBL27961306 0.85 ALDH1A1 (0.43) GAAL3MBTL1ALDH1A1HPGDCYP3A4
SCHEMBL8496181 0.84 TRPA1 (0.45) TRPA1ATMGAAL3MBTL1ALDH1A1
SCHEMBL9418836 0.82 TYR (0.44) TRPA1ATMGAAL3MBTL1ALDH1A1
SCHEMBL22819913 0.81 GAA (0.44) GAAL3MBTL1ALDH1A1CYP1A2ACP3
SCHEMBL1955258 0.78 KMT2A (0.42) GAAL3MBTL1ALDH1A1HPGDCYP3A4
SCHEMBL28827495 0.77 PPARG (0.40) TRPA1ATMGAAL3MBTL1ALDH1A1
SCHEMBL13727456 0.77 TRPA1 (0.38) TRPA1ATMGAAL3MBTL1ALDH1A1
SCHEMBL30309279 0.74 TRPA1 (0.52) TRPA1ATMALDH1A1HPGDCYP3A4
SCHEMBL184407 0.74 TRPA1 (0.52) TRPA1ATMALDH1A1HPGDCYP3A4

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
CN-109721617-B Preparation method of tazobactam 山东安舜制药有限公司 2020-04-21 CN disclosed
CN-109721617-A A kind of preparation method of Tazobactam Sodium 齐鲁天和惠世(乐陵)制药有限公司 2019-05-07 CN disclosed