SCHEMBL14236552

SCHEMBL14236552

C=Cc1ccc(CC(=O)OC)c2c(C)c(Cc3ccc(Cl)cc3)c(C)nc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR7 Q9NYK1 8/20 0.37
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DRD2 P14416 1/20 0.34
TBXA2R P21731 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
SCHEMBL3781729 0.87 ALDH1A1 (0.41) PLA2G2AALDH1A1KDM4EALOX15MAPK1
SCHEMBL3777623 0.79 PLA2G2A (0.46) PLA2G2AALDH1A1KDM4EALOX15MAPK1
SCHEMBL3775770 0.78 PLA2G2A (0.45) PLA2G2AALDH1A1KDM4EALOX15MAPK1
SCHEMBL3778130 0.77 TLR7 (0.37) ALDH1A1KDM4ENPSR1HPGDSMN1; SMN2
SCHEMBL3771013 0.75 EGLN1 (0.39) PLA2G2AALDH1A1KDM4ENPSR1LMNA
SCHEMBL3771049 0.71 LMNA (0.39) PLA2G2AALDH1A1KDM4EALOX15MAPK1
SCHEMBL27727380 0.69 MAPT (0.41) ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL3778397 0.68 VDR (0.40) ALDH1A1KDM4EALOX15MAPK1L3MBTL1
SCHEMBL3777108 0.68 ALDH1A1 (0.44) PLA2G2AALDH1A1KDM4EALOX15MAPK1
SCHEMBL3772821 0.68 ALDH1A1 (0.40) PLA2G2AALDH1A1KDM4EALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed