SCHEMBL8749153

SCHEMBL8749153

O=C(CC12CC3CC(CC(C3)C1)C2)N1CCOCCOCCOCCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CCOCCOCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.70
TSHR P16473 2/20 0.66
HSD11B1 P28845 1/20 0.60
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9272566 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749192 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8748855 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL2529216 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749130 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749305 1.00 BPTF (0.70) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL8749014 0.98 BPTF (0.72) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL12204818 0.98 BPTF (0.72) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL2530415 0.87 TSHR (0.55) BPTFTSHRHSD11B1LMNAHTT
SCHEMBL12216280 0.87 TSHR (0.55) BPTFTSHRHSD11B1LMNAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599928-B1 STABILIZED COMPLEX LIGANDS AND THEIR USE IN LIQUID CRYSTAL DISPLAYS HOECHST AG (DE) 1997-03-19 EP disclosed
EP-0599928-A1 STABILIZED COMPLEX LIGANDS AND THEIR USE IN LIQUID CRYSTAL DISPLAYS. HOECHST AG (DE) 1994-06-08 EP disclosed
WO-1993004142-A1 STABILIZED COMPLEX LIGANDS AND THEIR USE IN LIQUID CRYSTAL DISPLAYS HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed
EP-0528415-A1 Stabilized complex ligands and their use in liquid crystal displays HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-24 EP disclosed