SCHEMBL9818896

SCHEMBL9818896

O=C1C[C@@H](Cc2ccccc2)Oc2ccc(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.56
AR P10275 5/20 0.53
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 1/20 0.49
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
ABCB1 P08183 2/20 0.46
CYP19A1 P11511 2/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
CYP3A4 P08684 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GRM2 Q14416 1/20 0.39
CTRB1 P17538 1/20 0.38
APP P05067 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL1979508 1.00 PBRM1 (0.56) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL19584927 0.87 PBRM1 (0.53) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL9819034 0.84 SIGMAR1 (0.49) ARSIGMAR1HTR1AMAOBABCB1
SCHEMBL11377847 0.83 SIGMAR1 (0.66) ARSIGMAR1HTR1AMAOBABCB1
SCHEMBL19585579 0.82 PBRM1 (0.51) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL9819081 0.81 SIGMAR1 (0.46) ARSIGMAR1HTR1AMAOBABCB1
SCHEMBL15537413 0.80 PBRM1 (0.66) PBRM1ARMAOBMAOAABCB1
SCHEMBL10368729 0.80 HRH3 (0.41) ARSIGMAR1HTR1AGRM2MAPT
SCHEMBL15589544 0.78 PBRM1 (0.58) PBRM1ARSIGMAR1HTR1AMAOB
SCHEMBL15537839 0.78 PBRM1 (0.62) PBRM1ARMAOBMAOAABCB1

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