SCHEMBL9631359

SCHEMBL9631359

CCCCCCCCCC(CCCCCCCC)C1=CC(=O)OC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.36
PDCD4 Q53EL6 3/20 0.35
PTPN1 P18031 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FAAH O00519 1/20 0.33
CNR2 P34972 1/20 0.33
SOAT1 P35610 6/20 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
SCHEMBL23322273 0.83 PDCD4 (0.35) PDCD4
SCHEMBL3170698 0.73 CDC25A (0.41) PTPN1CYSLTR2CYSLTR1MEN1KMT2A
Hexane SCHEMBL28307403 0.70 ALDH1A1 (0.35) MEN1KMT2A
SCHEMBL6413040 0.69 ACHE (0.50) PTPN1
SCHEMBL9697326 0.69 ACHE (0.50) PTPN1
SCHEMBL6544689 0.69 ACHE (0.50) PTPN1
SCHEMBL8924182 0.69 ACHE (0.50) PTPN1
SCHEMBL7029057 0.69 ACHE (0.50) PTPN1
SCHEMBL19026087 0.69 ACHE (0.50) PTPN1
SCHEMBL8921071 0.69 ACHE (0.50) PTPN1

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
US-5110491-A Polyisobutylene modified with maleic anhydride, 2,5-dimercapto-1,3,4-thiadiazole and pentaethylenehexamine TEXACO INC. (US) 1992-05-05 US disclosed