SCHEMBL14593731

SCHEMBL14593731

C=C/C=C1Cc2cc(N)cc(c2OCCC)Cc2cccc(c2OCCC)Cc2cc(N)cc(c2OCCC)C/C=C/1OCCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 6/20 0.38
▸ GSTP1 P09211 6/20 0.38
▸ PTPRC P08575 4/20 0.38
▸ PTPN2 P17706 4/20 0.38
▸ PTPN1 P18031 4/20 0.38
▸ PTPRB P23467 4/20 0.38
▸ PTPN11 Q06124 4/20 0.38
▸ TLR4 O00206 1/20 0.35
▸ CD14 P08571 1/20 0.35
▸ LY96 Q9Y6Y9 1/20 0.35

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
SCHEMBL13987039 0.73 TLR4 (0.51) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL31326111 0.70 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856857 0.70 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL5021866 0.67 GSTA1 (0.51) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6202528 0.63 PTPRC (0.53) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856732 0.63 GSTA1 (0.67) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL17030888 0.63 TLR4 (0.36) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL30702676 0.62 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6067606 0.62 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL19726834 0.61 GSTA1 (0.64) GSTA1GSTP1PTPRCPTPN2PTPN1

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-7166718-B2 Calix[4]arene-nucleoside and calix[4]oligonucleotide hybrids POSTECH FOUNDATION (KR) 2007-01-23 — — US disclosed
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