SCHEMBL28548880

SCHEMBL28548880

COc1cc(CN)ccc1OC(=O)CCCCCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALOX15 P16050 3/20 0.50
TOP2A P11388 1/20 0.46
EPHX2 P34913 1/20 0.43
LTA4H P09960 1/20 0.42
LDHA P00338 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL438428 0.87 ALOX15 (0.62) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15
SCHEMBL28853476 0.86 ALOX15 (0.61) CYP1A2CYP3A4CYP2C9CYP2C19ALOX15
SCHEMBL2203349 0.81 LTA4H (0.48) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL9895595 0.81 EPHX2 (0.59) MEN1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL2205924 0.81 MEN1 (0.53) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL2205927 0.81 KMT2A (0.46) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL28548881 0.81 CYP3A4 (0.65) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL15558682 0.80 ALOX15 (0.67) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL15558986 0.80 ALOX15 (0.59) MEN1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL15557876 0.80 ALOX15 (0.63) MEN1CYP1A2POLBCYP3A4CYP2D6

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-112608247-B Preparation method of capsaicin and capsaicin prepared by using same 遂宁晶安科技有限公司 2023-04-07 CN disclosed
CN-112608247-A Preparation method of capsaicin and capsaicin prepared by using same 遂宁晶安科技有限公司 2021-04-06 CN disclosed