SCHEMBL31326111

SCHEMBL31326111

CCCOc1c2cccc1Cc1cccc(c1OCCC)Cc1cccc(c1OCCC)Cc1cccc(c1OCCC)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 6/20 0.56
▸ GSTP1 P09211 6/20 0.56
▸ PTPRC P08575 4/20 0.56
▸ PTPN2 P17706 4/20 0.56
▸ PTPN1 P18031 4/20 0.56
▸ PTPRB P23467 4/20 0.56
▸ PTPN11 Q06124 4/20 0.56
▸ CD69 Q07108 2/20 0.50
▸ TLR4 O00206 1/20 0.43
▸ CD14 P08571 1/20 0.43
▸ LY96 Q9Y6Y9 1/20 0.43
▸ LGALS1 P09382 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CHRM2 P08172 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL12856857 1.00 GSTA1 (0.56) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856732 0.91 GSTA1 (0.67) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL30702676 0.89 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6067606 0.89 GSTA1 (0.57) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL5021866 0.88 GSTA1 (0.51) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6202528 0.87 PTPRC (0.53) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL6203943 0.85 GSTA1 (0.46) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL19726834 0.83 GSTA1 (0.64) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856718 0.83 GSTA1 (0.64) GSTA1GSTP1PTPRCPTPN2PTPN1
SCHEMBL12856777 0.82 GSTA1 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504461-A Preparation of chiral calixarene and method for water phase catalytic enantioselective reaction of acetone and aromatic aldehyde 常州大学 2025-02-25 — — CN claimed
CN-119504462-A Calix [4] arene cyclohexanediamine derivative and green method for catalyzing asymmetric Aldol reaction by using same 常州大学 2025-02-25 — — CN disclosed
CN-119504461-A Preparation of chiral calixarene and method for water phase catalytic enantioselective reaction of acetone and aromatic aldehyde 常州大学 2025-02-25 — — CN disclosed
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