SCHEMBL30080834

SCHEMBL30080834

CCCCCCC1C(=O)CCC1(C)C(=O)O.CCCCCCC1C(=O)CCC1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PTGER2 P43116 7/20 0.38
▸ PTGER3 P43115 3/20 0.38
▸ PTGER4 P35408 2/20 0.38
▸ DNTT P04053 3/20 0.37
▸ CNR1 P21554 1/20 0.34
▸ DAGLA Q9Y4D2 1/20 0.34
▸ PRKCA P17252 1/20 0.33
▸ PSMB11 A5LHX3 1/20 0.32
▸ PSMA7 O14818 1/20 0.32
▸ PSMB1 P20618 1/20 0.32
▸ PSMA1 P25786 1/20 0.32
▸ PSMA2 P25787 1/20 0.32
▸ PSMA3 P25788 1/20 0.32
▸ PSMA4 P25789 1/20 0.32
▸ PSMB8 P28062 1/20 0.32

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
SCHEMBL114297 0.84 TSHR (0.69) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL29232810 0.83 HTT (0.67) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL273056 0.83 PRKCA (0.40) PRKCAPSMB11PSMA7PSMB1PSMA1
SCHEMBL29827434 0.83 HTT (0.67) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL3112057 0.83 HTT (0.67) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL29232806 0.83 HTT (0.67) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL30797361 0.83 HTT (0.67) HTTTSHRSMN1; SMN2MEN1KMT2A
Acetic Acid SCHEMBL31534028 0.82 HTT (0.62) HTTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL29010515 0.77 DNTT (0.40) HTTTSHRSMN1; SMN2PTGER2PTGER3
(-)-Jasmonic Acid SCHEMBL28879692 0.77 AKR1C4 (0.50) HTTTSHRSMN1; SMN2PTGER2PTGER3

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-115322833-B Perfume mixture 西姆莱斯股份公司 2025-01-28 — — CN disclosed
CN-110099990-B Perfume mixture 西姆莱斯股份公司 2022-11-29 — — CN disclosed
CN-115322833-A Perfume mixture 西姆莱斯股份公司 2022-11-11 — — CN disclosed
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