SCHEMBL18554125

SCHEMBL18554125

CCCCCCC(=O)OC1=CC=CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DGKA P23743 1/20 0.42
POLM Q9NP87 1/20 0.42
POLK Q9UBT6 1/20 0.42
POLL Q9UGP5 1/20 0.42
POLH Q9Y253 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
NAAA Q02083 2/20 0.40
DNM1 Q05193 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PAM P19021 2/20 0.39
ALOX15 P16050 1/20 0.39
NLRP3 Q96P20 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38

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
SCHEMBL9857907 0.78 DGKA (0.39) KMT2ASMN1; SMN2DGKATSHRLMNA
SCHEMBL1401706 0.76 DGKA (0.37) KMT2ASMN1; SMN2DGKATSHRLMNA
SCHEMBL3249448 0.76 DGKA (0.37) KMT2ASMN1; SMN2DGKATSHRLMNA
SCHEMBL28084879 0.76 POLM (0.50) KMT2ASMN1; SMN2DGKAPOLMPOLK
SCHEMBL42670 0.75 HSD17B3 (0.42) KMT2ATSHRMEN1ALDH1A1TDP1
SCHEMBL8932157 0.73 HSD17B3 (0.41) KMT2AMEN1ALDH1A1MAPT
SCHEMBL8505393 0.72 DGKA (0.48) KMT2ASMN1; SMN2DGKAPOLMPOLK
SCHEMBL8506394 0.72 DGKA (0.48) KMT2ASMN1; SMN2DGKAPOLMPOLK
SCHEMBL27480100 0.71 POLM (0.52) KMT2ASMN1; SMN2DGKAPOLMPOLK
SCHEMBL28145047 0.71 POLM (0.52) KMT2ASMN1; SMN2DGKAPOLMPOLK

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
EP-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP disclosed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO disclosed