SCHEMBL28636739

SCHEMBL28636739

CC(C)CC1CCCCN(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENO1 P06733 3/20 0.39
MME P08473 1/20 0.38
CYP3A4 P08684 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACE P12821 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CD O00329 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL26580680 0.95 ENO1 (0.43) ENO1MMECYP3A4LMNAGAA
SCHEMBL23863959 0.87 CYP3A4 (0.44) ENO1MMECYP3A4LMNAGAA
SCHEMBL6294033 0.80 ENO1 (0.42) ENO1CYP3A4ACETSHRTDP1
SCHEMBL13074068 0.79 ENO1 (0.41) ENO1CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL28354949 0.78 HSD11B1 (0.43) MMECYP3A4LMNAGAACYP2C9
SCHEMBL8468401 0.77 ENO1 (0.40) ENO1CYP3A4GAAACETSHR
SCHEMBL19296832 0.75 PIK3CD (0.37) MMECYP3A4LMNAGAACYP2C9
SCHEMBL28924468 0.74 ENO1 (0.43) ENO1CYP3A4ACETSHRTDP1
SCHEMBL13074065 0.74 ENO1 (0.47) ENO1CYP3A4ACETSHRTDP1
SCHEMBL20165714 0.72 CA1 (0.45) GAAALDH1A1KMT2A

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-109337097-B Solvent and method for preparing cellulose solution by using same 绍兴美标纺织品检验有限公司 2021-10-01 CN disclosed