SCHEMBL9312191

SCHEMBL9312191

C=C(C)C(=O)OCCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.45
MGLL Q99685 3/20 0.45
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 6/20 0.40
CYP2D6 P10635 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP3A4 P08684 4/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 2/20 0.40
ABCB1 P08183 2/20 0.40
NPC1 O15118 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL9313658 0.84 ACHE (0.47) LMNAALDH1A1TDP1ABCB1SMN1; SMN2
SCHEMBL9313579 0.79 ALDH1A1 (0.61) FAAHMGLLLMNAALDH1A1CYP1A2
SCHEMBL9312727 0.75 CRHBP (0.46) LMNAALDH1A1CYP2D6CYP2C19TDP1
SCHEMBL12895484 0.74 ATM (0.46) LMNAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11026162 0.73 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2MAPTTDP1
SCHEMBL5281104 0.72 ALDH1A1 (0.53) FAAHMGLLLMNAALDH1A1CYP1A2
SCHEMBL5281106 0.72 MAPT (0.62) FAAHMGLLLMNAALDH1A1CYP1A2
SCHEMBL11028205 0.72 ALDH1A1 (0.63) LMNAALDH1A1CYP1A2MAPTTDP1
SCHEMBL7096253 0.72 ATM (0.49) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL7202690 0.71 TSHR (0.53) LMNAALDH1A1CYP1A2CYP2D6CYP3A4

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-5334710-A Monomeric or polymeric compounds SANDOZ LTD. (CH) 1994-08-02 US disclosed