SCHEMBL9819174

SCHEMBL9819174

CC1CC(=O)c2cc(Cl)c(OCc3ccccc3)cc2O1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.56
PBRM1 Q86U86 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 1/20 0.43
GRM2 Q14416 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
GRM5 P41594 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
KMO O15229 1/20 0.40
SIRT1 Q96EB6 2/20 0.39

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
SCHEMBL9749301 0.81 MAOB (0.67) MAOBMAOAHPGDNPC1RAB9A
SCHEMBL9819009 0.78 PBRM1 (0.50) AKR1B1PBRM1MAOBHPGDSMN1; SMN2
SCHEMBL9819094 0.74 PBRM1 (0.58) AKR1B1PBRM1MAOBMAOAHPGD
SCHEMBL9818879 0.74 PBRM1 (0.58) AKR1B1PBRM1MAOBMAOAHPGD
SCHEMBL27464278 0.74 MAOB (0.43) MAOBMAOAHPGDNPC1RAB9A
SCHEMBL23778062 0.74 PDE4B (0.46) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23778017 0.73 PDE4B (0.48) NPC1RAB9ASMN1; SMN2PDE4B
SCHEMBL10713025 0.72 PBRM1 (0.55) AKR1B1PBRM1MAOBMAOAHPGD
SCHEMBL8069101 0.71 MAOB (0.47) MAOBMAOA
SCHEMBL8063014 0.71 PDE4A (0.54) MAOBPDE4B

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