SCHEMBL30702676

SCHEMBL30702676

CCCCOc1c2cccc1Cc1cccc(c1OCCCC)Cc1cccc(c1OCCCC)Cc1cccc(c1OCCCC)C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 6/20 0.57
▸ GSTP1 P09211 6/20 0.57
▸ CD69 Q07108 1/20 0.48
▸ PTPRC P08575 4/20 0.48
▸ PTPN2 P17706 4/20 0.48
▸ PTPN1 P18031 4/20 0.48
▸ PTPRB P23467 4/20 0.48
▸ PTPN11 Q06124 4/20 0.48
▸ LTA4H P09960 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ LGALS1 P09382 1/20 0.40
▸ TLR4 O00206 2/20 0.39
▸ CD14 P08571 2/20 0.39
▸ LY96 Q9Y6Y9 2/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL6067606 1.00 GSTA1 (0.57) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL760971 0.91 GSTA1 (0.65) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL12856857 0.89 GSTA1 (0.56) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL31326111 0.89 GSTA1 (0.56) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL757636 0.86 GSTA1 (0.50) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL761363 0.84 GSTA1 (0.67) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL12856732 0.81 GSTA1 (0.67) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL759676 0.79 GSTA1 (0.52) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL5021866 0.78 GSTA1 (0.51) GSTA1GSTP1CD69PTPRCPTPN2
SCHEMBL6202528 0.77 PTPRC (0.53) GSTA1GSTP1CD69PTPRCPTPN2

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
CN-117269131-A Detection method of aflatoxin and application thereof 天津中医药大学 2023-12-22 — — CN disclosed
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