SCHEMBL8091901

SCHEMBL8091901

CCOP(=O)(CNc1cc(OCCOCCOC)c(C(F)(F)F)cc1[N+](=O)[O-])OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.40
ALDH1A1 P00352 9/20 0.37
MAPT P10636 6/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SERPINE1 P05121 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.34
PTGER4 P35408 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
S1PR4 O95977 1/20 0.33
CHEK1 O14757 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL8090680 0.87 SERPINE1 (0.47) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8091881 0.85 MAPT (0.43) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8098486 0.84 AR (0.35) ALDH1A1KDM4EPTGER4KMT2AHPGD
SCHEMBL8090679 0.83 MAPT (0.43) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8606858 0.81 MEN1 (0.39) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8098464 0.80 ALDH1A1 (0.38) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8083681 0.80 MAPT (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8171359 0.79 SERPINE1 (0.39) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8091947 0.79 SERPINE1 (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8091931 0.77 SERPINE1 (0.47) LMNAALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136805-A Quinoxaline dione derivatives, their production and their use in medicaments SCNERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed