SCHEMBL8608569

SCHEMBL8608569

CC(C)(C)C1CCC2(C=CC(=O)C2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL15195202 0.71 ATM (0.49) ATMALDH1A1GAAMEN1CYP2C9
SCHEMBL2435959 0.70 POLB (0.32) POLB
SCHEMBL36856 0.67 NEK2 (0.32) ALDH1A1
SCHEMBL19628662 0.66 ALDH1A1 (0.39) ATMALDH1A1GAAMEN1CYP2C9
Hydrochloric Acid SCHEMBL7260312 0.66 NEK2 (0.31)
SCHEMBL6113562 0.66
SCHEMBL9408451 0.64 ATM (0.42) ATMALDH1A1GAAMEN1CYP2C9
SCHEMBL23160153 0.63 ATM (0.36) ATMALDH1A1GAAMEN1CYP2C9
SCHEMBL8776134 0.63 ATM (0.44) ATMALDH1A1GAAMEN1CYP2C9
SCHEMBL8608582 0.63 ATM (0.38) ATMALDH1A1GAAMEN1CYP2C9

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
US-5849802-A Fungicidal spirocyclic amines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed