SCHEMBL6504472

SCHEMBL6504472

Clc1[c]ccc(OCc2ccccc2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 2/20 0.42
DRD2 P14416 1/20 0.42
LIPE Q05469 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 1/20 0.41
CLCN2 P51788 1/20 0.41
MCL1 Q07820 1/20 0.41
LTA4H P09960 1/20 0.40
HPGD P15428 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 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
SCHEMBL510440 0.81 MAPT (0.50) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL19612205 0.77 MAPT (0.64) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL7615166 0.77 MEN1 (0.44) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL11824469 0.76
SCHEMBL27564586 0.74 ALDH1A1 (0.43) MAPTMAPK1TDP1L3MBTL1SMN1; SMN2
SCHEMBL5728945 0.74 L3MBTL1 (0.37) MAPTMAPK1L3MBTL1HPGDRAB9A
SCHEMBL8365991 0.73 KDM1A (0.44) HTR1AHPGDNPC1SMN1; SMN2
SCHEMBL5934194 0.72 MAPT (0.44) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL1446254 0.72 HPGD (0.46) MAPK14MAPTMAPK1TDP1L3MBTL1
SCHEMBL28239249 0.72 MAPT (0.44) MAPK14MAPTMAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-6844347-B1 Cyclic guanosine monophosphate modulators; cardiovascular diseases; guanylate cyclase activation AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-18 US disclosed