SCHEMBL28560707

SCHEMBL28560707

CC1CCCCCCCCC(C=C=O)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2391382 0.88
SCHEMBL11868696 0.88 ALDH1A1 (0.36) EPHX1ALDH1A1
SCHEMBL28550347 0.87 KMT2A (0.30) KMT2A
SCHEMBL28550467 0.80 KMT2A (0.39) KMT2AALDH1A1
SCHEMBL2794472 0.80
SCHEMBL498527 0.78 KMT2A (0.39) EPHX1KMT2AALDH1A1
SCHEMBL265848 0.78 KMT2A (0.39) EPHX1KMT2AALDH1A1
SCHEMBL15575 0.78 KMT2A (0.39) EPHX1KMT2AALDH1A1
Cyclohexane SCHEMBL9547725 0.78 KMT2A (0.39) EPHX1KMT2AALDH1A1
SCHEMBL28843554 0.78 KMT2A (0.39) EPHX1KMT2AALDH1A1

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