SCHEMBL6587328

SCHEMBL6587328

COC(=O)COc1ccccc1CCl

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
MCL1 Q07820 1/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 2/20 0.44
PLA2G2A P14555 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL10193137 0.86 PPARD (0.59) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL7963964 0.86 LMNA (0.46) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL11814669 0.86 PPARD (0.60) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL10422938 0.85 PPARD (0.55) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL10506317 0.84 SMN1; SMN2 (0.60) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL4082498 0.83 PPARD (0.53) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL7001693 0.83 PPARD (0.53) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL8882060 0.82 L3MBTL1 (0.71) PPARDLMNAL3MBTL1NPSR1ALDH1A1
SCHEMBL7335064 0.82 PPARD (0.75) PPARDL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4300659 0.81 L3MBTL1 (0.65) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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 7 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
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO disclosed
WO-1989012629-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 WO 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