SCHEMBL9819085

SCHEMBL9819085

CC1CC(=O)c2cc(C#N)c(F)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.48
AKR1B1 P15121 2/20 0.47
GRM5 P41594 1/20 0.38
MAOB P27338 11/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
THRB P10828 1/20 0.34
APEX1 P27695 1/20 0.34
RECQL P46063 1/20 0.34
GCGR P47871 1/20 0.34
RAB9A P51151 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
SCHEMBL9819356 0.83 PBRM1 (0.57) PBRM1AKR1B1MAOBKDM4EMAPT
SCHEMBL9818930 0.79 PBRM1 (0.53) PBRM1AKR1B1MAOBKDM4EMAPT
SCHEMBL9818901 0.78 PBRM1 (0.51) PBRM1MAOBKDM4EMAPTALDH1A1
SCHEMBL10444682 0.75 PBRM1 (0.46) PBRM1AKR1B1MAOBKDM4EMAPT
SCHEMBL9818866 0.75 PBRM1 (0.51) PBRM1AKR1B1MAOBKDM4EMAPT
SCHEMBL9819061 0.75 PBRM1 (0.59) PBRM1AKR1B1MAOBKDM4EMAPT
SCHEMBL9818870 0.75 PBRM1 (0.51) PBRM1AKR1B1MAOBKDM4EMAPT
SCHEMBL7269358 0.74 PBRM1 (0.61) PBRM1RAB9AKMT2ATDP1
SCHEMBL9818954 0.73 AKR1B1 (0.47) PBRM1AKR1B1MAPTALDH1A1GAA
SCHEMBL9818879 0.72 PBRM1 (0.58) PBRM1AKR1B1MAOBKDM4EMAPT

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