SCHEMBL19630052

SCHEMBL19630052

C/C=C/CCCCCCN(CCC)CCCCC/C=C/CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 3/20 0.40
HSD17B10 Q99714 3/20 0.40
F7 P08709 2/20 0.40
F3 P13726 2/20 0.40
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
RECQL P46063 2/20 0.40
BLM P54132 2/20 0.40
OXER1 Q8TDS5 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
FFAR1 O14842 1/20 0.40
NR1I2 O75469 1/20 0.40
PLA2G1B P04054 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL5853372 0.92 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HSD17B10F7
SCHEMBL5853376 0.92 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HSD17B10F7
SCHEMBL5852986 0.92 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HSD17B10F7
SCHEMBL5852982 0.92 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HSD17B10F7
SCHEMBL5854711 0.92 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HSD17B10F7
SCHEMBL5854717 0.92 ALDH1A1 (0.40) ALDH1A1MAPTALOX15HSD17B10F7
SCHEMBL5854152 0.92 EPHX2 (0.38) MAPTALOX15HSD17B10F7F3
SCHEMBL5854912 0.92 EPHX2 (0.38) MAPTALOX15HSD17B10F7F3
SCHEMBL5854147 0.92 EPHX2 (0.38) MAPTALOX15HSD17B10F7F3
SCHEMBL5854677 0.92 EPHX2 (0.38) MAPTALOX15HSD17B10F7F3

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
WO-2017201342-A1 POLYNUCLEOTIDES ENCODING JAGGED1 FOR THE TREATMENT OF ALAGILLE SYNDROME MODERNATX, INC. (US) 2017-11-23 WO disclosed