SCHEMBL29530867

SCHEMBL29530867

CCCCCCNC(=O)Cc1ccc(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ TRPV1 Q8NER1 1/20 0.65
▸ EPHX2 P34913 1/20 0.64
▸ QPCT Q16769 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ POLB P06746 1/20 0.57

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
SCHEMBL29531190 1.00 L3MBTL1 (0.73) L3MBTL1TRPV1EPHX2QPCTCA1
SCHEMBL28755556 1.00 L3MBTL1 (0.73) L3MBTL1TRPV1EPHX2QPCTCA1
SCHEMBL28719249 1.00 L3MBTL1 (0.73) L3MBTL1TRPV1EPHX2QPCTCA1
SCHEMBL9808706 0.90 TRPV1 (0.74) TRPV1
SCHEMBL258429 0.90 TRPV1 (0.74) TRPV1
SCHEMBL29530847 0.90 TRPV1 (0.74) TRPV1
SCHEMBL28755565 0.90 TRPV1 (0.74) TRPV1
SCHEMBL9320267 0.88 L3MBTL1 (0.61) L3MBTL1TRPV1EPHX2
SCHEMBL9320964 0.88 L3MBTL1 (0.61) L3MBTL1TRPV1EPHX2
SCHEMBL9323056 0.88 L3MBTL1 (0.61) L3MBTL1TRPV1EPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315631-B Capsaicin derivative, and preparation method and application thereof 广西医科大学 2024-01-05 — — CN disclosed
CN-114315631-A Capsaicin derivative and preparation method and application thereof 广西医科大学 2022-04-12 — — CN disclosed
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