SCHEMBL7876366

SCHEMBL7876366

CC(C)(C)OCC(=O)O.COc1ccc(CN=C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
LDHA P00338 1/20 0.40
CTBP2 P56545 1/20 0.40
FFAR1 O14842 6/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS1 P23219 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.36

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
SCHEMBL7876161 0.89 NR4A2 (0.48) POLBTDP1NPC1RAB9ASMN1; SMN2
SCHEMBL7872649 0.87 EGFR (0.41) MIFPOLBKDM4EHTTNPC1
SCHEMBL5372 0.81 MIF (0.67) MIFLDHACTBP2KDM4EHTT
Phenylacetic Acid SCHEMBL7872638 0.78 KDM4E (0.52) MIFCTBP2POLBKDM4EPTGS1
SCHEMBL14013435 0.74 MIF (0.43) MIFPPARGPPARDPPARA
SCHEMBL6895340 0.73 MIF (0.56) MIFLDHAKDM4EHTTSMN1; SMN2
SCHEMBL7872596 0.72 RAB9A (0.52) MIFPPARAPOLBKDM4EAKR1C3
SCHEMBL7867578 0.72 RAB9A (0.52) MIFPPARAPOLBKDM4EAKR1C3
Phenylacetic Acid SCHEMBL7876128 0.70 KDM4E (0.43) MIFCTBP2POLBKDM4EPTGS1
SCHEMBL7876137 0.70 CYP3A4 (0.39) FFAR1PPARGPPARDPPARATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316623-B1 USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed