SCHEMBL27679166

SCHEMBL27679166

COC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
HPGD P15428 2/20 0.59
LMNA P02545 3/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.56
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL657614 1.00 ALDH1A1 (0.59) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL30283493 0.86 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL27771387 0.85 LMNA (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL4998342 0.85 LMNA (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL28069455 0.84 LMNA (0.48) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL829972 0.83 KMT2A (0.64) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL20299326 0.81 TSHR (0.52) ALDH1A1LMNAF2SMN1; SMN2
SCHEMBL27612334 0.81 CHRNB2 (0.51) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7671999 0.81 TSHR (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL27261138 0.81 ALDH1A1 (0.60) ALDH1A1HPGDLMNAMEN1KMT2A

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
CN-1964964-A Piperidine derivatives for the treatment of chemokine mediated diseases ASTRAZENECA AB (SE) 2007-05-16 CN disclosed