SCHEMBL6584152

SCHEMBL6584152

CCOC(=O)CCC(Br)CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.45
TRPA1 O75762 1/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP4F2 P78329 3/20 0.39
CYP4A11 Q02928 3/20 0.39
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ALOX15 P16050 2/20 0.38
ATM Q13315 1/20 0.37
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL852674 0.86 ALDH1A1 (0.46) L3MBTL1ALDH1A1TRPA1KMT2APOLB
SCHEMBL7522785 0.86 L3MBTL1 (0.49) L3MBTL1ALDH1A1TRPA1KMT2APOLB
SCHEMBL6585676 0.85 ALDH1A1 (0.54) L3MBTL1ALDH1A1TRPA1CYP1A2GAA
SCHEMBL7590699 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1TRPA1KMT2APOLB
SCHEMBL22091819 0.84 L3MBTL1 (0.41) L3MBTL1ALDH1A1TRPA1KMT2APOLB
SCHEMBL11285667 0.83 ALDH1A1 (0.54) L3MBTL1ALDH1A1TRPA1CYP1A2GAA
SCHEMBL7590695 0.82 ALDH1A1 (0.43) ALDH1A1TRPA1KMT2APOLBCYP1A2
SCHEMBL6276955 0.81 ALDH1A1 (0.50) L3MBTL1ALDH1A1TRPA1CYP1A2GAA
SCHEMBL25411536 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1TRPA1KMT2APOLB
SCHEMBL5922952 0.81 ALDH1A1 (0.47) L3MBTL1ALDH1A1TRPA1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784052-B1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation AVENTIS HOLDINGS INC (US) 2004-09-01 EP disclosed
EP-0784052-A1 Quinoline derivatives as antagonists of leukotriene d4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1997-07-16 EP disclosed
US-4920131-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4918081-A Quinoline derivatives and use thereof as antagonists of leukotriene d4 RORER PHARMACEUTICAL CORP. (US) 1990-04-17 US disclosed
EP-0348155-A1 Quinoline derivatives as antagonists of leukotriene D4, compositions containing the same and processes for their preparation RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-12-27 EP disclosed