SCHEMBL3965154

SCHEMBL3965154

C[C@H]1CCc2cccc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CYP1A2 P05177 1/20 0.67
LMNA P02545 1/20 0.48
CNR2 P34972 8/20 0.44
CNR1 P21554 5/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
ALB P02768 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TUBB4A P04350 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3966675 1.00 KDM4E (0.67) KDM4ESMN1; SMN2CYP1A2LMNACNR2
SCHEMBL7329638 0.91 KDM4E (0.57) KDM4ESMN1; SMN2CYP1A2LMNACNR2
SCHEMBL11257190 0.87 KDM4E (0.53) KDM4ESMN1; SMN2CYP1A2LMNACNR2
SCHEMBL11741159 0.84 KDM4E (0.48) KDM4ESMN1; SMN2CYP1A2LMNACNR2
SCHEMBL4129093 0.83 KDM4E (0.48) KDM4ESMN1; SMN2CYP1A2LMNACNR2
SCHEMBL4129090 0.83 KDM4E (0.48) KDM4ESMN1; SMN2CYP1A2LMNACNR2
SCHEMBL11750696 0.81 KDM4E (0.76) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
Flumequine SCHEMBL49830 0.80 KDM4E (1.00) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
SCHEMBL11748080 0.80 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A
SCHEMBL11751414 0.80 KDM4E (0.74) KDM4ESMN1; SMN2CYP1A2LMNAPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175217-B8 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LTD (IN) 2009-03-18 EP claimed
EP-1175217-A2 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS Wockhardt Limited (IN) 2002-01-30 EP claimed
WO-2000068229-A2 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2000-11-16 WO claimed
EP-1309383-B1 COMPOSITIONS FOR DEFOAMING AQUEOUS COMPOSITIONS COGNIS IP MAN GMBH (DE) 2009-03-18 EP disclosed
EP-1175217-B8 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LTD (IN) 2009-03-18 EP disclosed
US-6512016-B2 Organosilicone compound which has defoaming activity in aqueous based compositions and reaction product of linking agent and polyether; latex paints COGNIS CORPORATION 2003-01-28 US disclosed
EP-1175217-A2 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS Wockhardt Limited (IN) 2002-01-30 EP disclosed
WO-2000068229-A2 (S)-BENZOQUINOLIZINE CARBOXYLIC ACIDS AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2000-11-16 WO disclosed