SCHEMBL11400372

SCHEMBL11400372

CC(C#N)c1ccc(Sc2ccccc2C(Cl)C(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP12 P39900 2/20 0.38
▸ AGBL2 Q5U5Z8 1/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ MCL1 Q07820 4/20 0.35
▸ BCL2 P10415 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ AKR1C3 P42330 2/20 0.32
▸ AKR1C1 Q04828 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DHFR P00374 1/20 0.30

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
SCHEMBL29143247 0.81 SIRT1 (0.47) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL11478885 0.79 CYP2C9 (0.59) MMP2MMP9MMP12AGBL2CYP2C9
SCHEMBL11427398 0.77 ALDH1A1 (0.46) MMP2MMP9MMP12AGBL2CYP2C9
SCHEMBL11430852 0.76 MMP2 (0.60) MMP2MMP9MMP12ALDH1A1MEN1
SCHEMBL11400370 0.75 AKR1B1 (0.46) MMP2MMP9MMP12AGBL2CYP2C9
SCHEMBL11554666 0.74 MMP2 (0.49) MMP2MMP9MMP12CYP2C9CYP2C19
Oxirane SCHEMBL11442758 0.74 SIRT1 (0.41) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL11552435 0.74 SLC6A2 (0.44) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL11452309 0.72 MMP2 (0.41) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL11398613 0.71 MMP2 (0.44) MMP2MMP9MMP12AGBL2CYP2C9

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-4282245-A ANTIINFLAMMATORY NIPPON CHEMIPHAR CO., LTD. (JP) 1981-08-04 — — US disclosed
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