SCHEMBL7057692

SCHEMBL7057692

CCn1cc(C(=O)O)c(=O)c2cc(C)ccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.70
HPGD P15428 4/20 0.70
HSD17B10 Q99714 4/20 0.70
ALDH1A1 P00352 3/20 0.70
TSHR P16473 2/20 0.70
RAB9A P51151 1/20 0.70
LMNA P02545 6/20 0.64
HTT P42858 2/20 0.64
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
APEX1 P27695 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MEN1 O00255 1/20 0.54
ABCC4 O15439 1/20 0.54
PKM P14618 1/20 0.54
PTGS1 P23219 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPT P10636 1/20 0.53
DRD3 P35462 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL12485058 0.90 KDM4E (0.56) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL12674058 0.89 KDM4E (0.59) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11948569 0.89 LMNA (0.56) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL3979676 0.86 KDM4E (0.70) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL7285360 0.85 LMNA (0.77) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL11948562 0.84 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL17189835 0.84 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL4969079 0.84 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL9027382 0.84 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR
SCHEMBL30390219 0.84 KDM4E (0.68) KDM4EHPGDHSD17B10ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841929-B1 QUINOLONES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-07 EP disclosed
US-5891878-A Quinolones and their therapeutic use CHIROSCIENCE LIMITED (GB) 1999-04-06 US disclosed
EP-0841929-A1 QUINOLONES AND THEIR THERAPEUTIC USE Chiroscience Limited (GB) 1998-05-20 EP disclosed
WO-1997004779-A1 QUINOLONES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1997-02-13 WO disclosed
US-3963736-A Preparation of 1-(lower alkyl)-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acids SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-06-15 US disclosed