SCHEMBL4662020

SCHEMBL4662020

CC(C)(C)C1CCC2(CC1)CC2OC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
EPHX1 P07099 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLA P06280 1/20 0.30
CYP19A1 P11511 1/20 0.30
ATM Q13315 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
SCHEMBL4068123 0.75
SCHEMBL4661991 0.75
SCHEMBL4662128 0.74 CYP2C19 (0.32) ALDH1A1CYP2C19
SCHEMBL4660714 0.74 CYP2C19 (0.32) ALDH1A1CYP2C19
SCHEMBL4661900 0.74 CYP2C19 (0.32) ALDH1A1CYP2C19
SCHEMBL4661890 0.74 CYP2C19 (0.32) ALDH1A1CYP2C19
SCHEMBL4660712 0.74 CYP2C19 (0.32) ALDH1A1CYP2C19
SCHEMBL1636177 0.73 SLC1A2 (0.33) EPHX1KDM4EGAAALDH1A1LMNA
SCHEMBL28199763 0.70 MAPT (0.51) MAPTAPOBEC3AAPOBEC3GEPHX1KDM4E
SCHEMBL20483727 0.69 EPHX1 (0.33) MAPTAPOBEC3AAPOBEC3GEPHX1KDM4E

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
EP-1558230-B1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2008-12-31 EP claimed