SCHEMBL9836711

SCHEMBL9836711

C=C(CCCC)C(O)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.42
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
MAPT P10636 1/20 0.37
ABCB1 P08183 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
DGKA P23743 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL9836443 0.93 ZDHHC7 (0.47) ZDHHC7CES1CES2MAPTTSHR
SCHEMBL9692307 0.85 CES1 (0.38) CA1CES1CES2MAPTALDH1A1
SCHEMBL2044096 0.79 CA1 (0.36) CA1CA2ZDHHC7ABCB1ALDH1A1
SCHEMBL9834930 0.76 CA1 (0.43) CA1CA2ZDHHC7CES1CES2
SCHEMBL9834925 0.76 CA1 (0.43) CA1CA2ZDHHC7CES1CES2
SCHEMBL11535355 0.73 CES2 (0.52) ZDHHC7CES2MAPTKDM4EDUSP3
SCHEMBL10903055 0.72 AKR1B1 (0.48) ALDH1A1TSHRMEN1KMT2A
SCHEMBL23045272 0.72 TSHR (0.54) CA1CA2ZDHHC7ALDH1A1TSHR
SCHEMBL6067592 0.71 CES1 (0.39) CA1CES1CES2ALDH1A1TP53
Hexane SCHEMBL10785370 0.69 ZDHHC7 (0.53) CA1CA2ZDHHC7MAPTABCB1

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-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed