SCHEMBL8735860

SCHEMBL8735860

CCOC(=O)C(F)C(=O)c1cc(F)c(F)c(OC(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
TSHR P16473 1/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
PDE4D Q08499 5/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
FBP1 P09467 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7005407 0.91 ALDH1A1 (0.41) GAASMN1; SMN2ALDH1A1CES2CES1
SCHEMBL6184304 0.88 HSD17B2 (0.40) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL10510642 0.87 CES2 (0.46) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL7007713 0.87 MEN1 (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3190052 0.83 CES2 (0.39) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL9046842 0.81 CES2 (0.37) MEN1KMT2ASMN1; SMN2CES2CES1
SCHEMBL10516761 0.79 CA12 (0.34) MEN1KMT2AALDH1A1CES2CES1
SCHEMBL8874973 0.78 FBP1 (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7506697 0.77 MEN1 (0.40) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL7007314 0.76 KMT2A (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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