SCHEMBL28901110

SCHEMBL28901110

CCOC(=O)C(Cl)C1=CCC(C)(C)CC1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CSF1R P07333 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25779016 0.74 MGAM (0.39) LMNACSF1R
SCHEMBL25288073 0.69
SCHEMBL16466443 0.68 OPRM1 (0.40) ALDH1A1KMT2A
SCHEMBL16840132 0.68 PRMT1 (0.38) MEN1KMT2A
SCHEMBL8253157 0.67 PRMT1 (0.38) MEN1KMT2A
SCHEMBL8254860 0.67 PRMT1 (0.38) MEN1KMT2A
SCHEMBL28901112 0.67 KDM5B (0.30) CSF1R
SCHEMBL25523299 0.66 KDM5B (0.34)
SCHEMBL818732 0.64 KDM4E (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL31290390 0.64 METAP2 (0.33) ALDH1A1LMNA

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-115427388-A Novel esters as fragrance compounds 西姆莱斯有限公司 2022-12-02 CN disclosed