SCHEMBL4804696

SCHEMBL4804696

CC(C)(C)C(SCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.44
EPHX1 P07099 6/20 0.43
SLC7A5 Q01650 1/20 0.42
ESR1 P03372 2/20 0.40
CA2 P00918 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
IDO1 P14902 1/20 0.40
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37

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
SCHEMBL3705344 0.86 PPARG (0.47) EPHX1CYP2C19POLBSMN1; SMN2
SCHEMBL28173073 0.75 SLC7A5 (0.47) EPHX1SLC7A5ESR1CA2CAMK2A
SCHEMBL3890950 0.74 HTT (0.41) BLMSLC7A5ESR1CA2CYP2C19
SCHEMBL27689408 0.73 ESR1 (0.38) BLMEPHX1ESR1CYP2C19POLB
SCHEMBL1579881 0.70 SLC7A5 (0.55) BLMSLC7A5ESR1CA2CAMK2A
SCHEMBL4803842 0.70 HSD17B10 (0.50) EPHX1ESR1CYP2C19ALDH1A1POLB
Methane SCHEMBL8628687 0.69 SLC7A5 (0.53) BLMSLC7A5ESR1CA2CAMK2A
SCHEMBL27978025 0.69 PPARG (0.43) EPHX1CYP2C19POLB
SCHEMBL24434185 0.68 SLC7A5 (0.61) SLC7A5
SCHEMBL21447603 0.68 BLM (0.57) BLMEPHX1SLC7A5ESR1CA2

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
EP-2007859-A1 METHOD OF INCREASING THE OXIDATION STABILITY OF BIODIESEL Oxiris Chemicals S.A. (ES) 2008-12-31 EP disclosed
WO-2007115844-A1 METHOD OF INCREASING THE OXIDATION STABILITY OF BIODIESEL OXIRIS CHEMICALS S.A. (ES) 2007-10-18 WO disclosed
EP-1181330-A1 MIXTURES CONTAINING STABILISERS AND IMINOPHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000066661-A1 MIXTURES CONTAINING STABILISERS AND IMINOPHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2000-11-09 WO disclosed