SCHEMBL29549313

SCHEMBL29549313

CCCCCC(Cc1ccc(OC)c(OC)c1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.55
EPHX2 P34913 1/20 0.51
SIGMAR1 Q99720 3/20 0.49
LTA4H P09960 2/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
PPARG P37231 1/20 0.48
ALOX15 P16050 2/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL30568773 0.99 LDHA (0.54) LDHAEPHX2SIGMAR1LTA4HPTGES
SCHEMBL29549524 0.99 LDHA (0.54) LDHAEPHX2SIGMAR1LTA4HPTGES
SCHEMBL10503243 0.92 LTA4H (0.56) LDHAEPHX2SIGMAR1LTA4HALOX15
SCHEMBL28162513 0.90 HTR1A (0.59) LTA4HALOX15
SCHEMBL299310 0.90 HTR1A (0.59) LTA4HALOX15
SCHEMBL29370506 0.90 HTR1A (0.59) LTA4HALOX15
SCHEMBL1286871 0.90 HTR1A (0.59) LTA4HALOX15
SCHEMBL29549298 0.90 HTR1A (0.59) LTA4HALOX15
SCHEMBL3393167 0.90 HTR1A (0.59) LTA4HALOX15
SCHEMBL28516417 0.89 HTR1A (0.58) LTA4HALOX15

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-114249669-B Capsaicin derivative and synthesis method and application thereof 广西医科大学附属肿瘤医院 2023-08-22 CN disclosed
CN-114249669-A Capsaicin derivative and its synthesis method and use 广西医科大学附属肿瘤医院 2022-03-29 CN disclosed