SCHEMBL6994825

SCHEMBL6994825

CC(=O)OCc1c(C)c(=O)n(C(C)=O)c2ccc(Cl)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 6/20 0.38
PTGS1 P23219 4/20 0.38
TP53 P04637 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
AKR1C3 P42330 2/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 1/20 0.36
ABCC3 O15438 1/20 0.36

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
SCHEMBL6994828 0.76 LMNA (0.37) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL27475357 0.75 ALDH1A1 (0.51) ALDH1A1LMNAL3MBTL1KDM4EHPGD
SCHEMBL6998457 0.72 ALDH1A1 (0.50) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL6992790 0.69 SIRT1 (0.45) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL27459777 0.68 ADRA2A (0.53) ALDH1A1LMNAL3MBTL1KDM4EHPGD
SCHEMBL3559889 0.67 GFER (0.44) ALDH1A1KDM4EHPGDALOX15TSHR
SCHEMBL17221651 0.66 RAB9A (0.44) PTGS2GABRA1GABRG2GABRB3GABRA5
SCHEMBL2479366 0.66 POLB (0.70) ALDH1A1LMNAL3MBTL1KDM4EHPGD
SCHEMBL27387994 0.65 ALOX15 (0.51) ALOX15PTGS2PTGS1TP53GPR17
SCHEMBL17221460 0.65 GABRA1 (0.36) KDM4EPTGS2PTGS1GABRA1GABRG2

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-1003724-B1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION AVENTIS PHARMA GMBH (DE) 2003-02-12 EP disclosed
US-6114349-A Substituted quinoline derivatives with antiviral action HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-05 US disclosed
EP-1003724-A1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION Aventis Pharma Deutschland GmbH (DE) 2000-05-31 EP disclosed
WO-1997037977-A1 SUBSTITUTED QUINOLINE DERIVATIVES WITH ANTIVIRAL ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-16 WO disclosed