SCHEMBL30912922

SCHEMBL30912922

COc1cc(C)ccc1C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.58
CYP3A4 P08684 2/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
ALOX15 P16050 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
HTR2A P28223 1/20 0.42
USP2 O75604 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 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
SCHEMBL6370651 1.00 ACHE (0.58) ACHECYP3A4HPGDLMNATP53
Nitric Acid SCHEMBL11333284 0.86 ACHE (0.44) ACHECYP3A4HPGDLMNATP53
Nitric Acid SCHEMBL11333283 0.86 ACHE (0.44) ACHECYP3A4HPGDLMNATP53
SCHEMBL3534896 0.83 ACHE (0.54) ACHECYP3A4HPGDLMNATP53
SCHEMBL12180296 0.83 ACHE (0.54) ACHECYP3A4HPGDLMNATP53
SCHEMBL1038127 0.83 ACHE (0.58) ACHECYP3A4HPGDLMNATP53
SCHEMBL6061341 0.81 ACHE (0.47) ACHEALDH1A1L3MBTL1HTTKDM4E
SCHEMBL12073737 0.81 ACHE (0.56) ACHECYP3A4HPGDALDH1A1L3MBTL1
SCHEMBL13019887 0.81 L3MBTL1 (0.45) ACHECYP3A4HPGDTP53ALDH1A1
SCHEMBL28942882 0.81 HTT (0.45) ACHECYP3A4HPGDLMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865809-A Preparation method of musk with sunflower seeds 山东兴文工业技术研究院有限公司 2024-04-12 CN disclosed