SCHEMBL5146809

SCHEMBL5146809

O=C(O)c1ccc(CC=CCc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.51
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
HPGD P15428 2/20 0.46
CES2 O00748 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 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
SCHEMBL12394306 0.85 PRSS12 (0.45) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL11625787 0.82 RXRA (0.47) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL5673851 0.79 RXRA (0.51) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL8830192 0.77 RXRA (0.53) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL3903720 0.77 RXRA (0.50) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL2276162 0.77 RXRA (0.50) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL14392419 0.77 RXRA (0.50) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL23529671 0.76 PTPRF (0.56) RXRACYP1A2CYP3A4CYP2C19HPGD
SCHEMBL14392458 0.76 PTGES (0.52) NPC1RAB9AMAOBMEN1MAPT
SCHEMBL27490653 0.76 KMT2A (0.61) RXRACYP1A2CYP3A4CYP2C19HPGD

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
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 EP disclosed