SCHEMBL7285807

SCHEMBL7285807

CCn1ccc(=O)c2cc(OC)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HTR6 P50406 2/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGER4 P35408 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
KCNA3 P22001 2/20 0.44
GRIK1 P39086 1/20 0.43

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
SCHEMBL7281288 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL16536004 0.85 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL16536963 0.84 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL16543633 0.82 ALDH1A1 (0.48) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL16536117 0.82 ALDH1A1 (0.51) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL27670765 0.81 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRRAB9A
Hydrochloric Acid SCHEMBL16536006 0.81 ALDH1A1 (0.50) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL16536196 0.81 PDE4B (0.55) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL7294168 0.81 CYP1A1 (0.53) KDM4EALDH1A1HPGDTSHRRAB9A
SCHEMBL7294180 0.81 CYP1A1 (0.53) KDM4EALDH1A1HPGDTSHRRAB9A

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-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP claimed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed