SCHEMBL8998064

SCHEMBL8998064

C=C(C)[CH]C(=O)OCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.55
ATM Q13315 1/20 0.48
TSHR P16473 7/20 0.45
HPGD P15428 1/20 0.45
APP P05067 1/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 6/20 0.37
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL8998101 0.88 ATM (0.67) HCAR2ATMTSHRHPGDAPP
SCHEMBL9563109 0.84 HCAR2 (0.60) HCAR2ATMTSHRHPGDAPP
SCHEMBL8998068 0.82
SCHEMBL448456 0.79 HCAR2 (0.82) HCAR2ATMTSHRHPGDAPP
SCHEMBL448454 0.79 HCAR2 (0.82) HCAR2ATMTSHRHPGDAPP
SCHEMBL322228 0.79 HCAR2 (0.82) HCAR2ATMTSHRHPGDAPP
SCHEMBL29200290 0.78 HCAR2 (0.60) HCAR2ATMTSHRHPGDAPP
Propyl Fumarate SCHEMBL28035820 0.78 HCAR2 (0.85) HCAR2ATMTSHRHPGDAPP
SCHEMBL19767010 0.77 HCAR2 (0.70) HCAR2ATMTSHRHPGDAPP
Hydrochloric Acid SCHEMBL28061109 0.77 HCAR2 (0.78) HCAR2ATMTSHRHPGDAPP

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-0496347-B1 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEM RES (JP) 1996-09-04 EP disclosed
US-5391807-A Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-02-21 US disclosed
US-5344953-A Fluorobenzene derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-09-06 US disclosed
US-5281742-A Bis(fluorophenyl) carbonate derivatives SAGAMI CHEMICAL RESEARCH CENTER (JP) 1994-01-25 US disclosed
EP-0496347-A2 Methods of preparing fluorobenzene derivatives and related compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-07-29 EP disclosed