SCHEMBL8735563

SCHEMBL8735563

CCn1cc(C(=O)O)c(=O)c2cc(F)c(F)c(OC(F)F)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
HPGD P15428 7/20 0.51
HSD17B10 Q99714 7/20 0.51
ALDH1A1 P00352 6/20 0.51
PMP22 Q01453 1/20 0.50
PIM1 P11309 1/20 0.48
DRD3 P35462 1/20 0.46
LMNA P02545 4/20 0.45
TSHR P16473 2/20 0.45
BRD4 O60885 1/20 0.45
HTT P42858 1/20 0.45
CYP2J2 P51589 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 1/20 0.44
CYP2C9 P11712 1/20 0.44
ATP6V1B2 P21281 1/20 0.44
TBXA2R P21731 1/20 0.44
EDNRA P25101 1/20 0.44
TARBP2 Q15633 1/20 0.44
POLB P06746 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
SCHEMBL8733989 0.88 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8503513 0.87 KDM4E (0.53) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8733567 0.87 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL6379861 0.85 LMNA (0.46) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8736415 0.85 CHRM1 (0.53) LMNA
SCHEMBL8731834 0.85 KDM4E (0.43) KDM4EHPGDHSD17B10ALDH1A1POLB
SCHEMBL9233676 0.84 KDM4E (0.51) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL500816 0.83 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL30843076 0.83 KDM4E (0.61) KDM4EHPGDHSD17B10ALDH1A1PMP22
SCHEMBL8735858 0.83 KDM4E (0.40) KDM4EHPGDHSD17B10ALDH1A1PMP22

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-0878194-A1 REMEDIES OR PREVENTIVES FOR AIDS SANKYO COMPANY LIMITED (JP) 1998-11-18 EP disclosed
US-5688791-A COMPOUNDS FOR TREATMENNT OF VIRAL DISEASES SUCH AS AIDS UBE INDUSTRIES, LTD. (JP) 1997-11-18 US disclosed
US-5519016-A Aryl group- or aromatic heterocyclic group-substituted aminoquinolone derivatives and anti-HIV agent UBE INDUSTRIES, LTD. (JP) 1996-05-21 US disclosed
EP-0572259-A1 Aminoquinolone derivatives as anti-HIV agents UBE INDUSTRIES, LTD. (JP) 1993-12-01 EP disclosed