SCHEMBL1416733

SCHEMBL1416733

CCC=CCC=CCC=CCCCCCCCCCCOC(N)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
CYP3A4 P08684 2/20 0.58
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
TSHR P16473 1/20 0.58
F7 P08709 3/20 0.56
F3 P13726 3/20 0.56
CYP19A1 P11511 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
NR1I2 O75469 2/20 0.56
PTGS2 P35354 2/20 0.56
OXER1 Q8TDS5 2/20 0.56
PTGS1 P23219 2/20 0.56
PPARG P37231 2/20 0.56
KMT2A Q03164 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL1416732 1.00 ALDH1A1 (0.58) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416611 0.95 LPAR2 (0.54) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416796 0.95 LPAR2 (0.54) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416629 0.93 LPAR2 (0.51) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416626 0.93 LPAR2 (0.51) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL6201970 0.90 KDM4E (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL14663391 0.90 KDM4E (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416741 0.90 KDM4E (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416744 0.90 KDM4E (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL1416739 0.90 KDM4E (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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
EP-1879856-B1 ALKYL-, ALKENYL- AND ALKYNYL CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2011-03-16 EP disclosed