SCHEMBL29530774

SCHEMBL29530774

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 1.00
▸ CA1 P00915 1/20 0.68
▸ CA2 P00918 1/20 0.68
▸ HSD17B10 Q99714 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ GPR119 Q8TDV5 1/20 0.60
▸ HPGD P15428 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ GMNN O75496 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ IDE P14735 1/20 0.58

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
SCHEMBL10548485 1.00 TRPV1 (1.00) TRPV1CA1CA2HSD17B10MAPT
SCHEMBL28942175 1.00 TRPV1 (1.00) TRPV1CA1CA2HSD17B10MAPT
SCHEMBL159764 0.92 TRPV1 (0.85) TRPV1CA1CA2HSD17B10MAPT
SCHEMBL155979 0.92 TRPV1 (0.85) TRPV1CA1CA2HSD17B10MAPT
SCHEMBL155980 0.92 TRPV1 (0.85) TRPV1CA1CA2HSD17B10MAPT
SCHEMBL30475690 0.88 TRPV1 (0.78) TRPV1CA1CA2HSD17B10MAPT
SCHEMBL6161575 0.87 TRPV1 (0.78) TRPV1CA1CA2HSD17B10MAPT
Hydrocaffeoylhexylamide SCHEMBL9346647 0.86 TRPV1 (0.80) TRPV1HSD17B10MAPTMEN1KMT2A
SCHEMBL9345367 0.86 TRPV1 (0.80) TRPV1HSD17B10MAPTMEN1KMT2A
SCHEMBL9350021 0.86 TRPV1 (0.80) TRPV1HSD17B10MAPTMEN1KMT2A

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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