SCHEMBL9818945

SCHEMBL9818945

CC1CC(=O)c2ccc(Cl)c(Cl)c2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.43
AKR1B1 P15121 3/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CREBBP Q92793 7/20 0.38
BRD4 O60885 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
CYP19A1 P11511 1/20 0.34
TTR P02766 1/20 0.34
MAOA P21397 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
ALPI P09923 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
ATM Q13315 1/20 0.33
PARP1 P09874 3/20 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
SCHEMBL13481989 0.75 KDM4E (0.57) PBRM1CYP19A1MAOAKDM4EPOLB
SCHEMBL9819147 0.73 PBRM1 (0.46) PBRM1AKR1B1CNR1CNR2CREBBP
SCHEMBL9818864 0.73 SIRT2 (0.46) PBRM1AKR1B1CNR1CNR2SMN1; SMN2
SCHEMBL9819187 0.73 AKR1B1 (0.46) PBRM1AKR1B1CNR1CNR2CREBBP
SCHEMBL9819094 0.70 PBRM1 (0.58) PBRM1AKR1B1CNR1CNR2CREBBP
SCHEMBL9818879 0.70 PBRM1 (0.58) PBRM1AKR1B1CNR1CNR2CREBBP
SCHEMBL9818829 0.70 PBRM1 (0.54) PBRM1AKR1B1CNR1CNR2CYP19A1
SCHEMBL31110769 0.70 PBRM1 (0.50) PBRM1CNR1CNR2CREBBPBRD4
SCHEMBL10713025 0.68 PBRM1 (0.55) PBRM1AKR1B1CNR1CNR2CREBBP
SCHEMBL1694255 0.67 MAOB (0.42) SMN1; SMN2MAOAMAPT

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