SCHEMBL6063596

SCHEMBL6063596

CCCC(=O)Oc1ccc(C(C)COS(C)(=O)=O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
LMNA P02545 2/20 0.37
GAA P10253 4/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 2/20 0.32
AKR1B1 P15121 1/20 0.32
WDR5 P61964 1/20 0.32
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL6063384 0.93 ALOX15 (0.43) ALOX15GAAKMT2AKDM4EAKR1B1
SCHEMBL6063686 0.83 ALOX15 (0.49) ALOX15LMNAGAAKMT2AKDM4E
SCHEMBL6063049 0.75 ALOX15 (0.47) ALOX15GAAKMT2AKDM4EL3MBTL1
SCHEMBL6063385 0.74 ALOX15 (0.46) ALOX15GAAKMT2AKDM4EL3MBTL1
SCHEMBL5662418 0.72 HTR2C (0.38) ALOX15ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL22435385 0.72 ALOX15 (0.51) ALOX15LMNAGAAKMT2AKDM4E
SCHEMBL5663362 0.71 ACHE (0.35) ALOX15LMNAGAAKMT2AKDM4E
SCHEMBL3837266 0.71 CYP1A2 (0.54) ALOX15LMNAGAAKMT2AKDM4E
Alcohol SCHEMBL11041706 0.71 ACHE (0.42) GAAKMT2AALDH1A1CA2BCHE
SCHEMBL11041736 0.70 GRIA4 (0.45) GAAALDH1A1CA2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680397-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2006-07-19 EP disclosed
WO-2005040102-A2 NOVEL COMPOUNDS AND THEIR USE AS ANTIDIABETIC AND HYPOLIPIDEMIC AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2005-05-06 WO disclosed