SCHEMBL8151785

SCHEMBL8151785

COC(=O)Cc1cccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
MAPT P10636 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 2/20 0.45
TDP1 Q9NUW8 4/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 4/20 0.45
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44

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
SCHEMBL10794534 0.91 PDGFRB (0.48) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL13905046 0.86 HPGD (0.50) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6543923 0.85 PDGFRB (0.50) MAPTCYP2C19L3MBTL1MEN1KMT2A
SCHEMBL27146321 0.84 PDGFRB (0.43) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL27836447 0.84 PDGFRB (0.43) HPGDMAPTCYP1A2CYP3A4CYP2C9
Ethylene SCHEMBL7406931 0.81 HPGD (0.46) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL16154026 0.81 HPGD (0.50) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7512069 0.81 HPGD (0.45) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL8217655 0.80 ALDH1A1 (0.52) HPGDMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL4516202 0.80 HPGD (0.48) HPGDMAPTCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1062216-A1 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INSTITUTE, INC. (US) 2000-12-27 EP disclosed
WO-1999043672-A1 INHIBITORS OF PHOSPHOLIPASE A2 GENETICS INSTITUTE, INC. (US) 1999-09-02 WO disclosed