SCHEMBL31283384

SCHEMBL31283384

CCCCCCCCCCCCCCCCCCCc1c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.42
▸ HIF1A Q16665 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ GAA P10253 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ BLM P54132 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TYR P14679 2/20 0.40
▸ CA2 P00918 2/20 0.40

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
SCHEMBL9063770 0.93 HSPA5 (0.45) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
SCHEMBL28365873 0.89 HSPA5 (0.40) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
SCHEMBL7644474 0.87 HSPA5 (0.41) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
SCHEMBL20699477 0.86 HSPA5 (0.47) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
SCHEMBL30694957 0.85 HSPA5 (0.42) HSPA5TP53GAAKMT2AALDH1A1
SCHEMBL29132940 0.85 HSPA5 (0.42) HSPA5TP53GAAKMT2AALDH1A1
SCHEMBL49284 0.84 ALDH1A1 (0.54) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
SCHEMBL11413689 0.83 HSPA5 (0.51) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
Calcium SCHEMBL30526370 0.83 ALDH1A1 (0.52) HSPA5HIF1ASMN1; SMN2TP53CYP2C9
SCHEMBL4558428 0.83 ALDH1A1 (0.52) HSPA5HIF1ASMN1; SMN2TP53CYP2C9

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-119173603-A Composition for adhesive, hot melt adhesive composition, and adhesive 日本瑞翁株式会社 2024-12-20 — — CN disclosed
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