SCHEMBL8208362

SCHEMBL8208362

CC1CCC(O)C(C(C)(C)C)C1.CCC(O)COC1CCCCC1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.32
NTSR1 P30989 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
XBP1 P17861 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3912889 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL9191326 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL19924608 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL118256 0.85 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL9192015 0.82 LMNA (0.41) MEN1KMT2AALDH1A1KDM4EAPOBEC3A
SCHEMBL21402635 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL8210147 0.73
SCHEMBL9190973 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL9186431 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL9192141 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1HTTL3MBTL1

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
EP-1053223-A1 SERINE CARBONATES Givaudan SA (CH) 2000-11-22 EP disclosed
WO-2000034232-A1 SERINE CARBONATES GIVAUDAN SA (CH) 2000-06-15 WO disclosed