SCHEMBL19402802

SCHEMBL19402802

C1CCCCCC(/N=N/C2CCCCCCCCC2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
HIF1A Q16665 1/20 0.50
ALDH1A1 P00352 4/20 0.45
SIGMAR1 Q99720 3/20 0.35
HSD17B10 Q99714 1/20 0.33
HSD11B1 P28845 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10617489 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL19387381 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL19402803 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL6676680 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL18687242 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL215605 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL215604 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL19275031 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL20887677 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10
SCHEMBL12737473 1.00 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1HSD17B10

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-2017165692-A1 COMPOUNDS LINKED WITH A SACCHARIDE METAL COMPLEX AND USES THEREOF FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2017-09-28 WO disclosed