SCHEMBL9235115

SCHEMBL9235115

CC(C(=O)O)c1ccccc1Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.47
▸ MMP2 P08253 2/20 0.44
▸ MMP9 P14780 2/20 0.44
▸ MMP12 P39900 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CXCL8 P10145 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ MMP16 P51512 1/20 0.42
▸ PTGS2 P35354 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ PTGS1 P23219 2/20 0.41

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
SCHEMBL323934 0.83 MMP2 (0.67) MMP2MMP9MMP12MMP1MMP8
SCHEMBL9419835 0.83 MEN1 (0.49) MMP2MMP9MMP12MMP8MMP13
SCHEMBL2209026 0.81 PTGS2 (0.44) MMP2MMP9MMP12MAPTCXCL8
SCHEMBL14097981 0.81 MMP2 (0.39) MMP2MMP9MMP12MAPTCXCL8
SCHEMBL10622791 0.81 HPGD (0.47) SIRT1MAPTPTGS2ALDH1A1HPGD
SCHEMBL2888693 0.79 GABRA1 (0.41) SIRT1MMP2MMP9MMP12TDP1
SCHEMBL6723569 0.79 CA12 (0.53) MMP2MMP9MMP12MAPTCXCL8
SCHEMBL6713912 0.79 CA12 (0.53) MMP2MMP9MMP12MAPTCXCL8
SCHEMBL29143247 0.79 SIRT1 (0.47) SIRT1MMP2MMP9MMP12TDP1
SCHEMBL2204495 0.78 PTGS2 (0.56) MMP2MMP9MMP12MAPTCXCL8

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
EP-0668270-A2 2-Imidazoline-5-ones derivatives as fungicides RHONE-POULENC AGROCHIMIE (FR) 1995-08-23 — — EP disclosed
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