SCHEMBL4613475

SCHEMBL4613475

CCOC(=O)C(O)CC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
HIF1A Q16665 1/20 0.34
CPB2 Q96IY4 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PIN1 Q13526 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
SCHEMBL9408553 0.78 HTT (0.40) ALDH1A1MMP8LMNAHSD17B10ALOX15
SCHEMBL9358305 0.78 HTT (0.40) ALDH1A1MMP8LMNAHSD17B10ALOX15
SCHEMBL27667334 0.78 MMP8 (0.35) ALDH1A1MMP8LMNAHSD17B10ALOX15
SCHEMBL1783372 0.74
SCHEMBL3360225 0.74
SCHEMBL544994 0.74
SCHEMBL8074526 0.73 ALDH1A1 (0.46) ALDH1A1MMP8LMNAHSD17B10ALOX15
SCHEMBL8074523 0.73 ALDH1A1 (0.46) ALDH1A1MMP8LMNAHSD17B10ALOX15
SCHEMBL7634771 0.72 SOAT1 (0.39) ALDH1A1MMP8LMNAHSD17B10ALOX15
SCHEMBL27028970 0.72 MAPK1 (0.46) ALDH1A1MMP8LMNAHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055654-B1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS DAICEL CHEM (JP) 2008-02-20 EP disclosed
US-7183423-B1 Process for the preparation of organic compounds with imide catalysts DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-27 US disclosed
US-6403521-B1 FOR OXIDATION, NITRATION, CARBOXYLATION, SULFONATION; NO EXHAUST GAS TREATMENT; 6-TRIFLUOROMETHYL-L-HYDROXY BENZOTRIAZOLE; 3-HYDROXY-4-OXO-1,2,3-BENZOTRIAZINE TO OXIDIZE FLUORENE TO FLUORENONE; ADAMANTANE TO ADAMANTANOL DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1085015-A2 Catalyst comprising a nitrogen-containing heterocylic compound Daicel Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
EP-1055654-A1 PROCESS FOR THE PREPARATION OF ORGANIC COMPOUNDS WITH IMIDE CATALYSTS Daicel Chemical Industries, Ltd. (JP) 2000-11-29 EP disclosed