SCHEMBL7344824

SCHEMBL7344824

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNQ2 O43526 2/20 0.42
RECQL P46063 1/20 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
SCHEMBL7344761 0.87 AKR1C3 (0.45) L3MBTL1MAPTTDP1KDM4EGAA
SCHEMBL155788 0.86 L3MBTL1 (0.56) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL19182818 0.86 L3MBTL1 (0.56) L3MBTL1ATMMEN1KMT2AMAPT
Formaldehyde SCHEMBL27761906 0.83 L3MBTL1 (0.53) L3MBTL1ATMMEN1KMT2AMAPT
Methane SCHEMBL7344826 0.81 L3MBTL1 (0.46) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL7345565 0.81 MEN1 (0.45) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL23193598 0.77 ESR1 (0.47) L3MBTL1MEN1KMT2AMAPTPOLB
Pivalate SCHEMBL8129979 0.77 MEN1 (0.48) L3MBTL1ATMMEN1KMT2AMAPT
SCHEMBL28465915 0.77 KDM4E (0.46) L3MBTL1ATMMEN1KMT2ATDP1
SCHEMBL28465913 0.77 KDM4E (0.46) L3MBTL1ATMMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1056680-A The preparation method who can be used as the 2-phenylalkanoic acid esters of human leukocytes elastase inhibitor CORTECH INC (US) 1991-12-04 CN disclosed