SCHEMBL28564147

SCHEMBL28564147

CC1CCCCCC=CCCCCCC(=O)C1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
MAPT P10636 1/20 0.34
TLR4 O00206 1/20 0.31
THRB P10828 1/20 0.30

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
SCHEMBL18038626 0.93 KMT2A (0.39) KMT2ACA1CA2CA4TRIM24
SCHEMBL18038627 0.93 KMT2A (0.39) KMT2ACA1CA2CA4TRIM24
SCHEMBL14716450 0.93 TRIM24 (0.36) KMT2ACA1CA2CA4TRIM24
SCHEMBL14716453 0.93 TRIM24 (0.36) KMT2ACA1CA2CA4TRIM24
SCHEMBL14418802 0.93 TRIM24 (0.36) KMT2ACA1CA2CA4TRIM24
SCHEMBL14716452 0.93 TRIM24 (0.36) KMT2ACA1CA2CA4TRIM24
SCHEMBL26467839 0.93 TRIM24 (0.36) KMT2ACA1CA2CA4TRIM24
SCHEMBL14418805 0.93 TRIM24 (0.36) KMT2ACA1CA2CA4TRIM24
SCHEMBL2046507 0.88 TRIM24 (0.38) KMT2ACA1CA2CA4TRIM24
SCHEMBL2046509 0.88 TRIM24 (0.38) KMT2ACA1CA2CA4TRIM24

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-107602363-B Preparation method of muscone 江西凡生实业有限公司 2020-12-18 CN disclosed