SCHEMBL7345565

SCHEMBL7345565

CCC(C(=O)Oc1ccc(SCC(C)(C)C(=O)O)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.36
KCNQ2 O43526 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
SCHEMBL7344160 0.87 MAPT (0.50) MEN1KMT2AMAPTPOLBGAA
SCHEMBL7344631 0.82 KEAP1 (0.37) MEN1KMT2AHSD17B10
SCHEMBL7344824 0.81 L3MBTL1 (0.47) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL155788 0.79 L3MBTL1 (0.56) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL19182818 0.79 L3MBTL1 (0.56) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL7351852 0.78 ELANE (0.57) MEN1KMT2ALMNAL3MBTL1ATM
Pivalate SCHEMBL8129979 0.78 MEN1 (0.48) MEN1KMT2ALMNAMAPTL3MBTL1
SCHEMBL7347806 0.77 MEN1 (0.43) MEN1KMT2ALMNAMAPTL3MBTL1
Formaldehyde SCHEMBL27761906 0.76 L3MBTL1 (0.53) MEN1KMT2ALMNAMAPTL3MBTL1
Methane SCHEMBL7344826 0.74 L3MBTL1 (0.46) MEN1KMT2ALMNAMAPTL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed
US-5214191-A OXIDANT SENSITIVE AND INSENSITIVE AROMATIC ESTERS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1993-05-25 US disclosed
EP-0465802-A1 Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase CORTECH, INC. (US) 1992-01-15 EP disclosed