SCHEMBL27111119

SCHEMBL27111119

CCOC(=O)[C@@H]1C[C@](C)(CO)CN1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
KDM4E B2RXH2 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
BACE1 P56817 1/20 0.32
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
POLB P06746 1/20 0.31
PPP1CC P36873 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9334473 0.81 LMNA (0.37) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL15831731 0.81 LMNA (0.37) LMNAKDM4ECYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL17392918 0.80 KDM4E (0.37) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL8273057 0.80 LMNA (0.36) LMNAKDM4ECYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL17392916 0.80 KDM4E (0.37) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL9334509 0.80 KDM4E (0.37) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL697217 0.77 KDM4E (0.35) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL30753324 0.77 KDM4E (0.37) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL15831734 0.77 KDM4E (0.35) LMNAKDM4ECYP2D6CYP2C9CYP2C19
SCHEMBL25232302 0.74 CYP2D6 (0.36) LMNAKDM4ECYP2D6CYP2C9CYP2C19

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
WO-2024044098-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-29 WO disclosed