SCHEMBL9819081

SCHEMBL9819081

N#Cc1ccc2c(c1)C(=O)CC(Cc1ccccc1)O2

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
HTR1A P08908 1/20 0.46
ABCB1 P08183 3/20 0.44
AR P10275 3/20 0.40
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
CYP19A1 P11511 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GRM5 P41594 1/20 0.37
RORC P51449 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
MAOB P27338 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
GRM2 Q14416 1/20 0.36

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
SCHEMBL9818896 0.81 PBRM1 (0.56) SIGMAR1HTR1AABCB1ARCYP19A1
SCHEMBL9819034 0.81 SIGMAR1 (0.49) SIGMAR1HTR1AABCB1ARCYP19A1
SCHEMBL1979508 0.81 PBRM1 (0.56) SIGMAR1HTR1AABCB1ARCYP19A1
SCHEMBL11377847 0.80 SIGMAR1 (0.66) SIGMAR1HTR1AABCB1ARCYP19A1
SCHEMBL7269358 0.74 PBRM1 (0.61) ABCB1ARCYP19A1ABCG2RORC
SCHEMBL9818700 0.74 SIGMAR1 (0.43) SIGMAR1HTR1AABCB1ARABCG2
SCHEMBL8131503 0.71 RORC (0.39) ABCB1ARCYP19A1ABCG2RORC
SCHEMBL10487800 0.69 AKR1B1 (0.58)
SCHEMBL9431969 0.68 SIRT2 (0.53) SIGMAR1HTR1AABCB1ARCYP19A1
SCHEMBL9818840 0.68 MAOB (0.42) SIGMAR1HTR1AABCB1ARMAOB

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