SCHEMBL5679102

SCHEMBL5679102

CCCCCCCCCCCCNc1ccc2ccc(O)c(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
NAAA Q02083 1/20 0.43
EGFR P00533 2/20 0.42
SYK P43405 1/20 0.42
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
EPHX1 P07099 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40
GPR84 Q9NQS5 4/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PNLIP P16233 1/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37

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
SCHEMBL9484979 0.81 ABL1 (0.55) ABL1NAAAEGFRSYKALOX5
SCHEMBL11347797 0.77 ABL1 (0.63) ABL1NAAAEGFRSYKALOX5
SCHEMBL12260011 0.76 ABL1 (0.54) ABL1EPHX1KCNH3ALDH1A1
SCHEMBL12260009 0.76 ABL1 (0.54) ABL1EPHX1KCNH3ALDH1A1
SCHEMBL9650900 0.76 ABL1 (0.50) ABL1NAAAEGFRSYKALOX5
SCHEMBL27494174 0.75 ALDH1A1 (0.55) ABL1NAAAEGFRSYKALOX5
SCHEMBL9501732 0.75 ABL1 (0.49) ABL1NAAAEGFRSYKALOX5
SCHEMBL4790558 0.75 CNR1 (0.50) ABL1EPHX1KCNH3TRPV1ALDH1A1
SCHEMBL9306981 0.74 CASP6 (0.57) ABL1PTGS2EPHX1ALDH1A1
SCHEMBL19145089 0.74 ARG1 (0.52) ABL1NAAAALOX5PTGS2TRPV1

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-1620447-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III Exxonmobil Chemical Patents Inc. (US) 2006-02-01 EP disclosed
WO-2003102006-A1 SOLUBLE LATE TRANSITION METAL CATALYSTS FOR OLEFIN OLIGOMERIZATIONS III EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-12-11 WO disclosed