SCHEMBL17637582

SCHEMBL17637582

CCc1cc(OCCCOc2ccc(C)c(CC)c2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
PDIA6 Q15084 1/20 0.46
MAPT P10636 5/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL15760670 0.94 L3MBTL1 (0.46) L3MBTL1PDIA6MAPTHPGDATM
SCHEMBL12164863 0.90 CA12 (0.46) L3MBTL1PDIA6MAPTHPGDALDH1A1
SCHEMBL15760673 0.89 KDM4E (0.49) L3MBTL1PDIA6MAPTALDH1A1SMN1; SMN2
SCHEMBL25155134 0.87 PDIA6 (0.42) L3MBTL1PDIA6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16480617 0.87 NR1I2 (0.47) L3MBTL1PDIA6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14183051 0.86 NQO1 (0.52) MAPTHPGDALDH1A1LMNAKDM4E
SCHEMBL25155094 0.84 KDM4E (0.61) MAPTHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL16480619 0.83 PDIA6 (0.43) L3MBTL1PDIA6ALDH1A1KDM4ENPC1
SCHEMBL12975430 0.82 BRD4 (0.57) MAPT
SCHEMBL28384106 0.81 HTR2A (0.39) L3MBTL1MAPTHPGDSMN1; SMN2LMNA

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
US-20160093821-A1 ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2016-03-31 US disclosed