SCHEMBL9818957

SCHEMBL9818957

Cc1cc2c(cc1[N+](=O)[O-])C(=O)CC(C)O2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.48
AKR1B1 P15121 1/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAOB P27338 3/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALPL P05186 1/20 0.34

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
SCHEMBL9818982 0.84 AKR1B1 (0.47) PBRM1AKR1B1MAOAALDH1A1MEN1
SCHEMBL9818999 0.84 PBRM1 (0.54) PBRM1AKR1B1MAOAALDH1A1MEN1
SCHEMBL9818954 0.84 AKR1B1 (0.47) PBRM1AKR1B1MAOAALDH1A1MEN1
SCHEMBL11377137 0.81 PBRM1 (0.58) PBRM1MAOAALDH1A1MEN1KMT2A
SCHEMBL8083405 0.79 POLB (0.39) AKR1B1MAOAALDH1A1MEN1KMT2A
SCHEMBL10712870 0.77 PBRM1 (0.43) PBRM1AKR1B1MAOAALDH1A1TSHR
SCHEMBL9818948 0.75 PBRM1 (0.60) PBRM1AKR1B1MAOAALDH1A1MEN1
SCHEMBL9818879 0.72 PBRM1 (0.58) PBRM1AKR1B1MAOAALDH1A1MEN1
SCHEMBL9819094 0.72 PBRM1 (0.58) PBRM1AKR1B1MAOAALDH1A1MEN1
SCHEMBL8282243 0.72 AKR1B1 (0.45) AKR1B1MAOAALDH1A1TSHRMAPT

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