SCHEMBL8922305

SCHEMBL8922305

CCCCCCC(C)Oc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38
ESR1 P03372 1/20 0.38
MGLL Q99685 5/20 0.38
GCGR P47871 1/20 0.38
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR35 Q9HC97 1/20 0.37
PLA2G4B P0C869 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL8922297 1.00 MAPT (0.39) MAPTABCB1ABCC1ESR1MGLL
SCHEMBL8922495 0.91 ESR1 (0.43) MAPTESR1MGLLGCGRMAPK1
SCHEMBL8922489 0.91 ESR1 (0.43) MAPTESR1MGLLGCGRMAPK1
SCHEMBL8925044 0.82 XDH (0.43) MAPTABCB1ESR1MAPK1ALDH1A1
SCHEMBL8925050 0.82 XDH (0.43) MAPTABCB1ESR1MAPK1ALDH1A1
SCHEMBL3137381 0.80 MAPT (0.48) MAPTABCB1ABCC1MAPK1ALDH1A1
SCHEMBL7700499 0.80 PLA2G4B (0.51) MAPTMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7700503 0.80 PLA2G4B (0.51) MAPTMAPK1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6940529 0.80 MGLL (0.48) MGLL
SCHEMBL7775241 0.78 RARB (0.41) MAPTALDH1A1TP53SMN1; SMN2L3MBTL1

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
US-5658493-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-08-19 US disclosed
US-5637256-A Ferroelectric liquid crystals for nonlinear optics applications UNIVERSITY RESEARCH CORPORATION (US) 1997-06-10 US disclosed
US-5543078-A A CHIRAL NONRACEMIC COMPOUND UNIVERSITY RESEARCH CORPORATION (US) 1996-08-06 US disclosed
WO-1992020058-A2 FERROELECTRIC LIQUID CRYSTALS FOR NONLINEAR OPTICS APPLICATIONS UNIVERSITY RESEARCH CORPORATION (US) 1992-11-12 WO disclosed