SCHEMBL8088261

SCHEMBL8088261

C=CC=C(c1ccccc1)N(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MGLL Q99685 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 1/20 0.38
PGR P06401 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
EGFR P00533 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8088256 1.00 ALDH1A1 (0.44) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL27748314 0.81 ALDH1A1 (0.49) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL11128936 0.81 CYP1A2 (0.46) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL27693488 0.80 ALDH1A1 (0.43) ALDH1A1MAPTLMNAEGFRMEN1
SCHEMBL12411256 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL17955311 0.79 ALDH1A1 (0.50) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL14301368 0.78 EGFR (0.38) ALDH1A1MAPTLMNAEGFRMEN1
SCHEMBL8859065 0.76 ALDH1A1 (0.47) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL12411252 0.74 NPC1 (0.49) ALDH1A1HPGDMAPTNPC1L3MBTL1
SCHEMBL11206642 0.74 NPC1 (0.49) ALDH1A1HPGDMAPTNPC1L3MBTL1

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
EP-1045868-A1 HOMOPOLYMERS AND COPOLYMERS OF ETHYLENE BP Chemicals Limited (GB) 2000-10-25 EP disclosed
WO-1999035174-A1 HOMOPOLYMERS AND COPOLYMERS OF ETHYLENE BP CHEMICALS LIMITED (GB) 1999-07-15 WO disclosed