SCHEMBL14934602

SCHEMBL14934602

CCC(C)(C)c1ccc(OCCOCCOc2ccc(C(C)(CC)CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.52
MAOB P27338 11/20 0.52
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL18330670 0.83 HRH3 (0.49) HRH3MAOBNPC1MAPTRAB9A
SCHEMBL19509695 0.82 HRH3 (0.58) HRH3MAOBNPC1MAPTRAB9A
SCHEMBL13857064 0.81 HRH3 (0.57) HRH3MAOBNPC1MAPTRAB9A
SCHEMBL13930848 0.81 HRH3 (0.43) HRH3MAOBALDH1A1
SCHEMBL10084514 0.80 HRH3 (0.64) HRH3MAOB
SCHEMBL13930950 0.80 LTA4H (0.50) HRH3MAOBALDH1A1
SCHEMBL13930955 0.78 SMN1; SMN2 (0.46) HRH3NPC1MAPTRAB9AALDH1A1
SCHEMBL1133575 0.77 HRH3 (0.61) HRH3MAOB
SCHEMBL7820613 0.77 HRH3 (0.56) HRH3MAOBNPC1MAPTRAB9A
SCHEMBL18737502 0.77 SMN1; SMN2 (0.60) HRH3MAOBNPC1MAPTRAB9A

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-2013064814-A1 LIGHT EMITTING COMPOSITION AND DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2013-05-10 WO disclosed