SCHEMBL9819102

SCHEMBL9819102

CC1CC(=O)c2ccc(Br)cc2O1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.77
MAOB P27338 15/20 0.44
AR P10275 1/20 0.42
CYP19A1 P11511 3/20 0.41
CYP3A4 P08684 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
YES1 P07947 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
ESR2 Q92731 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL18013010 0.87 PBRM1 (1.00) PBRM1MAOBARCYP19A1CYP3A4
SCHEMBL31015961 0.87 PBRM1 (1.00) PBRM1MAOBARCYP19A1CYP3A4
SCHEMBL9819043 0.81 MAOB (0.65) PBRM1MAOBCYP19A1CYP3A4
SCHEMBL9819049 0.81 MAOB (0.65) PBRM1MAOBCYP19A1CYP3A4
SCHEMBL9749344 0.80 CYP19A1 (0.63) PBRM1MAOBCYP19A1TUBB4ATUBB
SCHEMBL9819050 0.80 MAOB (0.63) PBRM1MAOB
SCHEMBL9818829 0.80 PBRM1 (0.54) PBRM1MAOBARCYP19A1CYP3A4
SCHEMBL17141505 0.80 PBRM1 (0.50) PBRM1MAOBARCYP19A1CYP3A4
SCHEMBL14741423 0.79 PBRM1 (0.53) PBRM1MAOBARCYP19A1
SCHEMBL9464541 0.78 CYP19A1 (0.68) MAOBCYP19A1CYP3A4

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