SCHEMBL24319875

SCHEMBL24319875

CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(OCCCC(C)C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.36
PLK1 P53350 3/20 0.35
PDK2 Q15119 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR1B P28222 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
GCGR P47871 1/20 0.34
PPARG P37231 2/20 0.33
TLR8 Q9NR97 1/20 0.33
PPARA Q07869 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL20690907 0.92 PTPN11 (0.38) PTPN11PLK1PDK2HTR1BACACB
SCHEMBL19663723 0.90 PTPN11 (0.43) PTPN11PLK1PDK2ACACBACACA
SCHEMBL21574567 0.90 PTPN11 (0.43) PTPN11PLK1PDK2ACACBACACA
SCHEMBL21337962 0.88 ACACB (0.42) PTPN11PLK1PDK2ACACBACACA
SCHEMBL21574515 0.85 PTPN11 (0.39) PTPN11PLK1PDK2ACACBACACA
SCHEMBL24445620 0.85 PTPN11 (0.46) PTPN11PLK1PDK2HRH3TLR8
SCHEMBL20367064 0.85 PTPN11 (0.39) PTPN11PLK1PDK2ACACBACACA
SCHEMBL23023555 0.85 PTPN11 (0.41) PTPN11PLK1PDK2ACACBACACA
SCHEMBL21574510 0.85 PTPN11 (0.39) PTPN11PLK1PDK2ACACBACACA
SCHEMBL19661192 0.83 PDK2 (0.38) PTPN11PLK1PDK2ACACBACACA

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-20220081590-A1 STAIN-PROOF BASE MATERIAL DAIKIN INDUSTRIES, LTD. (JP) 2022-03-17 US disclosed