SCHEMBL20206957

SCHEMBL20206957

CCCCCC(C(C)CCC)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
OPRM1 P35372 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
CA1 P00915 2/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
FDPS P14324 4/20 0.33
SMPD1 P17405 3/20 0.33
NR1I2 O75469 1/20 0.33
CA2 P00918 1/20 0.33
GPR84 Q9NQS5 3/20 0.32
SPHK1 Q9NYA1 1/20 0.32
FFAR1 O14842 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
SCHEMBL20207632 0.87 METAP1 (0.35) TP53CA1CA2
SCHEMBL8845642 0.85 TP53 (0.43) TP53OPRM1ACE2FDPSCA2
SCHEMBL28840440 0.73 TP53 (0.38) TP53ACE2ADH1BADH1CADH1A
SCHEMBL9662687 0.73 TP53 (0.56) TP53OPRM1ACE2CA1ADH1B
SCHEMBL750216 0.71 OPRM1 (0.52) TP53OPRM1ACE2CA1ADH1B
SCHEMBL17676570 0.71 TP53 (0.54) TP53OPRM1ACE2CA1ADH1B
SCHEMBL25991296 0.71 TP53 (0.54) TP53OPRM1ACE2CA1ADH1B
SCHEMBL17424122 0.71 TP53 (0.54) TP53OPRM1ACE2CA1ADH1B
SCHEMBL20376269 0.71 TP53 (0.43) TP53OPRM1CA1FDPSCA2
SCHEMBL20204682 0.70 TP53 (0.46) TP53OPRM1CA1FDPSCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098204-A1 6-MEMBERED URACIL ISOSTERES CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed