SCHEMBL9714082

SCHEMBL9714082

CCCCS(=O)(=O)OC(C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
CA2 P00918 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
LMNA P02545 3/20 0.32
NPC1 O15118 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 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
SCHEMBL5806254 0.94 ACE2 (0.38) CA2ACE2GPR84FFAR1MAPT
SCHEMBL5803689 0.94 ACE2 (0.38) CA2ACE2GPR84FFAR1MAPT
SCHEMBL9714209 0.88 CHRM1 (0.33)
SCHEMBL575562 0.86 TP53 (0.38) MAPK1CA2MAPTTP53LMNA
SCHEMBL8039764 0.81 TDP1 (0.34) TP53
SCHEMBL31573213 0.81 TDP1 (0.34) TP53
SCHEMBL9714156 0.81 TDP1 (0.34) TP53
SCHEMBL27863950 0.80 TP53 (0.34) MAPK1CA2MAPTTP53LMNA
SCHEMBL17922766 0.77 ALDH1A1 (0.40) MAPK1CA2MAPTTP53LMNA
SCHEMBL14780020 0.77 CA2 (0.39) MAPK1CA2MAPTTP53LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5079384-A Weed killers, destroy broad leaf plants, postemergence BAYER AKTIENGESELLSCHAFT (DE) 1992-01-07 US disclosed
US-5041609-A Plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed