SCHEMBL8924904

SCHEMBL8924904

CCCCCC[C@H](C)Oc1ccc(-c2ccc(-c3ccccc3C(=O)O)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.51
ALDH1A1 P00352 2/20 0.47
XDH P47989 3/20 0.46
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PDE4C Q08493 3/20 0.42
PDE4D Q08499 3/20 0.42
LTB4R2 Q9NPC1 1/20 0.41
BRS3 P32247 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PLA2G4B P0C869 1/20 0.39

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
SCHEMBL7168949 1.00 PTPN11 (0.51) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL7168950 1.00 PTPN11 (0.51) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL7165175 1.00 PTPN11 (0.51) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL7165171 1.00 PTPN11 (0.51) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL8922483 0.96 PTPN11 (0.55) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL6421561 0.96 PTPN11 (0.55) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL3195027 0.96 PTPN11 (0.55) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL7188692 0.88 XDH (0.44) ALDH1A1XDHPDE4APDE4BPDE4C
SCHEMBL8924907 0.88 PDE4A (0.47) PTPN11ALDH1A1XDHPDE4APDE4B
SCHEMBL8176758 0.86 PDE4A (0.51) PTPN11ALDH1A1XDHPDE4APDE4B

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