SCHEMBL9753563

SCHEMBL9753563

CC(=O)c1c(O)ccc(Br)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
PRKCI P41743 1/20 0.52
CA9 Q16790 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAOB P27338 2/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
CA12 O43570 3/20 0.37
SLC22A12 Q96S37 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1878648 0.81 THRB (0.61) THRBPRKCICA9MEN1KMT2A
SCHEMBL16334846 0.81 THRB (0.50) THRBPRKCICA9MEN1KMT2A
SCHEMBL6494516 0.80 CA12 (0.50) CA9MEN1KMT2AHPGDALOX5
SCHEMBL31006010 0.80 CA12 (0.50) CA9MEN1KMT2AHPGDALOX5
SCHEMBL9673828 0.80 THRB (0.50) THRBPRKCICA9MEN1KMT2A
SCHEMBL6451162 0.78 THRB (0.70) THRBPRKCICA9MEN1KMT2A
SCHEMBL6492703 0.78 CA12 (0.59) THRBCA9MEN1KMT2AHPGD
SCHEMBL1427664 0.76 CYP3A4 (0.51) CA9HPGDCYP3A4ALOX5CA12
SCHEMBL29958629 0.76 THRB (0.74) THRBPRKCICA9MEN1KMT2A
SCHEMBL3712557 0.76 THRB (0.74) THRBPRKCICA9MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed