SCHEMBL8924212

SCHEMBL8924212

O=[N+]([O-])c1ccc(CC2CCCCC2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.50
PTGS2 P35354 6/20 0.50
MT-CO1 P00395 1/20 0.50
MT-CO2 P00403 1/20 0.50
SLC18A3 Q16572 1/20 0.48
EPHX1 P07099 2/20 0.47
TRPA1 O75762 1/20 0.46
GBA1 P04062 2/20 0.46
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8924209 1.00 PTGS1 (0.50) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL6447825 0.78 LMNA (0.52) EPHX1TSHRALDH1A1POLBLMNA
SCHEMBL24168053 0.77 EPHX1 (0.51) EPHX1ALDH1A1POLBLMNAGAA
SCHEMBL7100552 0.76 PTGS1 (0.51) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL5131364 0.75 PTGS1 (0.53) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414651 0.74 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8414650 0.74 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL7431544 0.74 MAPT (0.55) TSHRALDH1A1POLBLMNAMAPT
SCHEMBL8417619 0.74 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3
SCHEMBL8417618 0.74 PTGS1 (0.55) PTGS1PTGS2MT-CO1MT-CO2SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995011215-A1 NON-STEROID ANDROGEN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1995-04-27 WO claimed
US-5677336-A ADMINISTERING TO MAMMALS TO MODULATE PROCESSES MEDIATED BY ANDROGEN RECEPTOR LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-10-14 US disclosed
WO-1995011215-A1 NON-STEROID ANDROGEN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1995-04-27 WO disclosed