SCHEMBL8724007

SCHEMBL8724007

OCCCNOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRAS P01112 1/20 0.47
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RRM1 P23921 1/20 0.40
HTT P42858 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IDO1 P14902 1/20 0.39
CCR3 P51677 1/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL8150074 0.88 HRAS (0.50) HRASLTA4HEPHX2NPC1RAB9A
SCHEMBL437919 0.86 MAOA (0.48) HRASNPC1RAB9ATSHRIDO1
SCHEMBL10693909 0.82 SIGMAR1 (0.57) MEN1KMT2APOLB
SCHEMBL9504635 0.80 HTT (0.62) HRASNPC1RAB9ATSHRALDH1A1
Hydrochloric Acid SCHEMBL7870266 0.79 SIGMAR1 (0.44) HRASNPC1RAB9ATSHRALDH1A1
SCHEMBL9781675 0.78 SIGMAR1 (0.51) HRASEPHX2ALDH1A1MEN1KMT2A
SCHEMBL8863637 0.78 MAOA (0.47) HRASNPC1RAB9AIDO1
SCHEMBL12802756 0.78 SIGMAR1 (0.51) HRASEPHX2ALDH1A1MEN1KMT2A
SCHEMBL9435055 0.78 HRAS (0.41) HRASNPC1RAB9ATSHRIDO1
SCHEMBL8893077 0.78 SIGMAR1 (0.51) HRASEPHX2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854218-A Sialyl Lex analogues as inhibitors of cellular adhesion CYTEL CORPORATION (US) 1998-12-29 US disclosed
WO-1997014707-A1 SIALYL Lex ANALOGUES AS INHIBITORS OF CELLULAR ADHESION CYTEL CORPORATION (US) 1997-04-24 WO disclosed