SCHEMBL7348796

SCHEMBL7348796

CCC(C(=O)Cl)c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.54
AKR1C2 P52895 4/20 0.54
AKR1C1 Q04828 1/20 0.54
PTGS1 P23219 1/20 0.54
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
KCNQ2 O43526 1/20 0.46
MET P08581 1/20 0.45
FFAR1 O14842 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
LDHA P00338 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL1587133 0.84 AKR1C3 (0.73) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL22095156 0.84 AKR1C3 (0.73) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL28140713 0.82 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL27146207 0.82 AKR1C3 (0.54) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL7998270 0.81 LMNA (0.57) AKR1C3AKR1C2AKR1C1PTGS1ALDH1A1
SCHEMBL28580616 0.81 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL10634318 0.80 AKR1C3 (0.52) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL6944962 0.80 L3MBTL1 (0.48) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL15326052 0.79 ALDH1A1 (0.50) AKR1C3AKR1C2L3MBTL1ALDH1A1KCNQ2
SCHEMBL28579206 0.78 MAPT (0.51) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1

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 8 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
EP-0446047-B1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1997-06-11 EP disclosed
US-5411978-A Aging resistance, human skin CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1995-05-02 US disclosed
US-5338747-A Benzoisothiazolinone-1-dioxide derivatives as elastase inhibitors CHESEBROUGH-POND'S USA CO., DIVISION OF CONOPCO, INC. (US) 1994-08-16 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
EP-0446047-A1 Benzisothiazolinone-1-dioxide derivatives as elastase inhibitors UNILEVER PLC (GB) 1991-09-11 EP disclosed