SCHEMBL9818948

SCHEMBL9818948

CC1CC(=O)c2cc([N+](=O)[O-])ccc2O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.60
MEN1 O00255 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 3/20 0.44
PTPRC P08575 3/20 0.44
S100A4 P26447 2/20 0.44
MAOA P21397 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
PNMT P11086 3/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
KDM4E B2RXH2 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CES1 P23141 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
SCHEMBL16190023 0.80 TDP1 (0.53) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL14053278 0.79 NPC1 (0.72) MEN1NPC1RAB9AKMT2AMAOA
SCHEMBL14053279 0.79 NPC1 (0.72) MEN1NPC1RAB9AKMT2AMAOA
SCHEMBL6266916 0.79 KMT2A (0.55) PBRM1MEN1NPC1RAB9AKMT2A
SCHEMBL6814103 0.79 KMT2A (0.55) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL6744327 0.79 MEN1 (0.55) MEN1NPC1RAB9AKMT2AAKR1B1
SCHEMBL6747484 0.79 RAB9A (0.52) PBRM1MEN1NPC1RAB9AKMT2A
SCHEMBL6744331 0.77 MEN1 (0.53) PBRM1MEN1NPC1RAB9AKMT2A
SCHEMBL3683723 0.76 PBRM1 (0.69) PBRM1NPC1RAB9AKMT2ATDP1
SCHEMBL3681000 0.76 PBRM1 (0.69) PBRM1NPC1RAB9AKMT2ATDP1

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-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed