SCHEMBL24313779

SCHEMBL24313779

CC(C)c1ccc(OCc2ccccc2)c(I)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
SLC2A1 P11166 1/20 0.50
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CCR5 P51681 1/20 0.44
KLK1 P06870 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
GLRA1 P23415 1/20 0.43
F2 P00734 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
LIPE Q05469 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL29469950 1.00 FFAR1 (0.52) FFAR1SLC2A1MAPTMAPK1TDP1
SCHEMBL682767 0.85 MAPT (0.49) MAPTMAPK1TDP1L3MBTL1CCR5
SCHEMBL12889910 0.83 GLRA1 (0.50) MAPTMAPK1TDP1L3MBTL1CCR5
SCHEMBL12868786 0.83 FFAR4 (0.54) FFAR1MAPTMAPK1TDP1L3MBTL1
SCHEMBL12738664 0.81 NPC1 (0.55) MAPTALDH1A1RAB9AF2APP
SCHEMBL14200026 0.81 MAPT (0.45) MAPTMAPK1TDP1L3MBTL1CCR5
SCHEMBL10172543 0.81 NPC1 (0.52) MAPTMAPK1TDP1L3MBTL1CCR5
SCHEMBL17833745 0.81 SMPD1 (0.53) MAPK1ALDH1A1RAB9AF2APP
SCHEMBL10148264 0.81 MRGPRX4 (0.56) FFAR1MAPTMAPK1TDP1L3MBTL1
SCHEMBL14200042 0.79 KEAP1 (0.53) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed
WO-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed