SCHEMBL28622321

SCHEMBL28622321

OCC(O)CC1CCCCCCCCCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL7906888 1.00 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EMAPTATM
SCHEMBL7906892 1.00 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EMAPTATM
SCHEMBL2945432 0.92
SCHEMBL1978249 0.87
SCHEMBL15129418 0.87
SCHEMBL15129648 0.87
SCHEMBL20354169 0.87 KDM4E (0.42) KDM4ETP53IDO1
SCHEMBL5101014 0.82 KDM4E (0.39) ALDH1A1KDM4ETP53IDO1
SCHEMBL7784263 0.78 TP53 (0.48) LMNAKDM4EMAPTTP53
SCHEMBL6662787 0.78 SHBG (0.41) ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113372207-A Synthesis method of muscone intermediate 2-cyclopentadecanone 无锡济煜山禾药业股份有限公司 2021-09-10 CN claimed
CN-113372207-B Synthesis method of muscone intermediate 2-cyclopentadecanone 无锡济煜山禾药业股份有限公司 2022-05-06 CN disclosed
CN-113372207-A Synthesis method of muscone intermediate 2-cyclopentadecanone 无锡济煜山禾药业股份有限公司 2021-09-10 CN disclosed