SCHEMBL18682248

SCHEMBL18682248

O=C(OCCCCCCO)c1ccc(OCCCCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
HTT P42858 3/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
ESR1 P03372 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR1H2 P55055 1/20 0.51
RNASEL Q05823 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
STS P08842 5/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL18682246 1.00 GAA (0.56) GAATDP1HTTALDH1A1L3MBTL1
SCHEMBL18682242 0.98 TDP1 (0.56) GAATDP1HTTALDH1A1L3MBTL1
SCHEMBL18682243 0.97 GAA (0.53) GAATDP1HTTALDH1A1L3MBTL1
SCHEMBL18682478 0.95 GAA (0.54) GAATDP1HTTALDH1A1L3MBTL1
SCHEMBL18682479 0.95 GAA (0.54) GAATDP1HTTALDH1A1L3MBTL1
SCHEMBL18682262 0.94 TSHR (0.62) HTTALDH1A1MAPTTSHRLMNA
SCHEMBL1531975 0.93 ALDH1A1 (0.56) GAATDP1HTTALDH1A1L3MBTL1
SCHEMBL14231806 0.92 NPC1 (0.64) ALDH1A1MAPTTSHRLMNAESR1
SCHEMBL18682263 0.92 NPC1 (0.64) ALDH1A1MAPTTSHRLMNAESR1
SCHEMBL12329359 0.92 HTT (0.51) GAATDP1HTTALDH1A1L3MBTL1

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-20170088777-A1 LIQUID CRYSTAL ALIGNMENT LAYER DIC CORPORATION (JP) 2017-03-30 US disclosed