SCHEMBL7051565

SCHEMBL7051565

CCn1cc(C(=O)O)c(=O)c2cc(OC)c(OC)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
ALDH1A1 P00352 4/20 0.68
HSD17B10 Q99714 4/20 0.68
HPGD P15428 4/20 0.68
TSHR P16473 2/20 0.68
RAB9A P51151 1/20 0.68
CYP1A2 P05177 1/20 0.61
CYP2D6 P10635 1/20 0.61
APEX1 P27695 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 3/20 0.53
HTT P42858 2/20 0.53
DRD3 P35462 1/20 0.53
BRD4 O60885 1/20 0.52
CYP2J2 P51589 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
TAAR1 Q96RJ0 1/20 0.49

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
SCHEMBL13596328 0.90 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL28433722 0.90 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL11078022 0.88 KDM4E (0.60) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL7057820 0.85 LMNA (0.65) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL9320904 0.84 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL9570278 0.83 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL15992147 0.83 KDM4E (0.67) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL11815418 0.83 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL5459961 0.81 MAPT (0.66) MAPTTP53LMNAPOLBGAA
SCHEMBL7282582 0.81 LMNA (0.60) KDM4EALDH1A1HSD17B10HPGDTSHR

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 3 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
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