SCHEMBL8977029

SCHEMBL8977029

COc1ccc(C(=O)C=Cc2ccc(O)cc2)c([N+](=O)[O-])c1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAOB P27338 2/20 0.53
LMNA P02545 1/20 0.53
CAPN1 P07384 1/20 0.51
PARP1 P09874 1/20 0.51
MAOA P21397 1/20 0.51
XDH P47989 1/20 0.48
APP P05067 1/20 0.48
MCL1 Q07820 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
CTSL P07711 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL8977026 1.00 MAPT (0.53) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL5517453 0.85 MAOB (0.67) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL5517451 0.85 MAOB (0.67) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL8965267 0.84 CTSL (0.55) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL8965265 0.84 CTSL (0.55) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL8965121 0.78 NPC1 (0.43) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL5511438 0.73 MAOB (0.71) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL5511439 0.73 MAOB (0.71) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL5519708 0.72 PTPN1 (0.62) MAPTMEN1KMT2AMAOBLMNA
SCHEMBL5519707 0.72 PTPN1 (0.62) MAPTMEN1KMT2AMAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0428398-B1 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1996-04-03 EP claimed
EP-0428398-A2 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-05-22 EP claimed
EP-0428398-B1 Radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO LTD (JP) 1996-04-03 EP disclosed
US-5110706-A Photoresists for highly reflective substrates JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-05-05 US disclosed