SCHEMBL5831354

SCHEMBL5831354

CCCCCCCCCCCCOc1ccc(-c2nc3ccc(-c4ccc(CCCCCCCCC)cc4)cc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 4/20 0.54
ATP4B P51164 4/20 0.54
APP P05067 3/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
MAPT P10636 2/20 0.44
SULT1A1 P50225 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
RARB P10826 3/20 0.44

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
SCHEMBL5832555 0.95 ATP4A (0.49) ATP4AATP4BAPPMEN1USP2
SCHEMBL8550820 0.93 ATP4A (0.56) ATP4AATP4BAPPLMNAMAPT
SCHEMBL5946619 0.93 ATP4A (0.56) ATP4AATP4BAPPLMNAMAPT
SCHEMBL8555420 0.93 ATP4A (0.56) ATP4AATP4BAPPLMNAMAPT
SCHEMBL8555881 0.93 ATP4A (0.53) ATP4AATP4BAPPMEN1USP2
SCHEMBL5946646 0.92 ATP4A (0.54) ATP4AATP4BAPPMEN1USP2
SCHEMBL8557251 0.91 ATP4A (0.56) ATP4AATP4BAPPALDH1A1LMNA
SCHEMBL5053235 0.88 ATP4A (0.60) ATP4AATP4BAPPLMNAMAPT
SCHEMBL3724320 0.88 ATP4A (0.60) ATP4AATP4BAPPLMNAMAPT
SCHEMBL5832578 0.88 POLB (0.47) ATP4AATP4BMAPTHTTRARB

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
US-7118787-B2 Liquid crystal alignment layer UNIVERSITY OF HULL (GB) 2006-10-10 US disclosed
US-20030099785-A1 Liquid crystal alignment layer UNIVERSITY OF HULL (GB) 2003-05-29 US disclosed