SCHEMBL9818982

SCHEMBL9818982

CC1CC(=O)c2cc([N+](=O)[O-])c(Cl)cc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 4/20 0.47
PBRM1 Q86U86 1/20 0.47
MAOA P21397 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL10712870 0.92 PBRM1 (0.43) AKR1B1PBRM1MAOAALDH1A1MAPT
SCHEMBL9818957 0.84 PBRM1 (0.48) AKR1B1PBRM1MAOAALDH1A1CYP3A4
SCHEMBL9818879 0.83 PBRM1 (0.58) AKR1B1PBRM1MAOAALDH1A1CYP3A4
SCHEMBL9819094 0.83 PBRM1 (0.58) AKR1B1PBRM1MAOAALDH1A1CYP3A4
SCHEMBL9818954 0.83 AKR1B1 (0.47) AKR1B1PBRM1MAOAALDH1A1CYP3A4
SCHEMBL9818999 0.83 PBRM1 (0.54) AKR1B1PBRM1MAOAALDH1A1MAPT
SCHEMBL19030678 0.81 AKR1B1 (0.50) AKR1B1MAOAALDH1A1CYP3A4MAPT
SCHEMBL10713025 0.81 PBRM1 (0.55) AKR1B1PBRM1MAOAALDH1A1CYP3A4
Lithium Ion SCHEMBL10713022 0.79 PBRM1 (0.54) AKR1B1PBRM1MAOAALDH1A1CYP3A4
SCHEMBL9818870 0.77 PBRM1 (0.51) AKR1B1PBRM1ALDH1A1MAPTMEN1

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 3 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
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed