SCHEMBL9014371

SCHEMBL9014371

C=CCC1(C(=O)O)OC1CCCCCCCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
FASN P49327 1/20 0.38
TSHR P16473 2/20 0.34
FAAH O00519 1/20 0.34
ALOX5 P09917 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
PTPN1 P18031 1/20 0.32
ACP1 P24666 1/20 0.32
CDC25B P30305 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
SCHEMBL9241243 0.82 POLB (0.39) POLBFASNTSHRALOX5PTPN1
SCHEMBL603685 0.81 POLB (0.38) POLBFASNTSHRALOX5PTPN1
SCHEMBL2320721 0.81 POLB (0.38) POLBFASNTSHRALOX5PTPN1
SCHEMBL606836 0.81 POLB (0.38) POLBFASNTSHRALOX5PTPN1
SCHEMBL670063 0.77 TERT (0.45) POLBFAAHPTPN1
SCHEMBL670062 0.77 TERT (0.45) POLBFAAHPTPN1
SCHEMBL11592507 0.73 ALDH1A1 (0.49) TSHR
SCHEMBL549395 0.72 MMP2 (0.42)
SCHEMBL11607553 0.72 ACE2 (0.36) POLBFASNZDHHC20ZDHHC2
SCHEMBL7579930 0.71 GPR84 (0.32) TSHR

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
CN-112166101-A N-hydroxyalkylated polyamines, method for producing N-hydroxyalkylated polyamines and fluids containing N-hydroxyalkylated polyamines 沙特阿拉伯石油公司 2021-01-01 CN disclosed
US-5484827-A UV-stabilizer concentrates based on TPU, a process for their production and utilization BASF ELASTOGRAN GMBH (DE) 1996-01-16 US disclosed