SCHEMBL7509909

SCHEMBL7509909

COc1cc(C2CC2)cc2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CNR2 P34972 2/20 0.43
▸ CSNK2A2 P19784 4/20 0.40
▸ CSNK2B P67870 4/20 0.40
▸ CSNK2A1 P68400 4/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ POLB P06746 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ DNA2 P51530 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 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
SCHEMBL6504649 0.83 CYP1A2 (0.46) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL30353206 0.80 KDM4E (0.64) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL8332461 0.79 ALDH1A1 (0.63) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL7512756 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL1556635 0.75 ALDH1A1 (0.45) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL7509122 0.73 KDM4E (1.00) KDM4EALDH1A1HPGDCNR2CSNK2A2
SCHEMBL17424081 0.73 ALDH1A1 (0.55) KDM4EALDH1A1HPGDCNR2CSNK2A2
SCHEMBL7017055 0.73 KDM4E (0.44) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
SCHEMBL17424063 0.72 KDM4E (0.54) KDM4EALDH1A1HPGDCSNK2A2CSNK2B
Hydrochloric Acid SCHEMBL30353212 0.72 ALDH1A1 (0.97) KDM4EALDH1A1HPGDCNR2CSNK2A2

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-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 — — EP claimed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 — — WO claimed
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 — — EP disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 — — WO disclosed
Send feedback