SCHEMBL8998101

SCHEMBL8998101

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

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
TSHR P16473 5/20 0.62
HPGD P15428 1/20 0.62
HCAR2 Q8TDS4 4/20 0.58
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APP P05067 4/20 0.43
CYP3A4 P08684 1/20 0.42
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8998064 0.88 HCAR2 (0.55) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL2421338 0.85 ATM (0.74) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL9395625 0.83 ATM (0.65) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL6463318 0.82 TSHR (0.85) ATMTSHRHPGDHCAR2ALDH1A1
Ethylene SCHEMBL27650794 0.81 ATM (0.91) ATMTSHRHPGDHCAR2ALDH1A1
Ethylene SCHEMBL11884689 0.81 ATM (0.91) ATMTSHRHPGDHCAR2ALDH1A1
Ethylene SCHEMBL11884679 0.81 ATM (0.91) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL27914900 0.81 TSHR (0.81) ATMTSHRHPGDHCAR2ALDH1A1
Methacrylic Acid SCHEMBL11082248 0.81 ATM (0.74) ATMTSHRHPGDHCAR2ALDH1A1
SCHEMBL28154 0.81 ATM (1.00) ATMTSHRHPGDHCAR2ALDH1A1

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