SCHEMBL22845171

SCHEMBL22845171

CSN1CCC2(CC1)CC(C(=O)O)N(C(C)=O)C2

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
ADAM10 O14672 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL17428797 0.84 ATM (0.43) ATMADAM10MMP2MMP9CYP2C19
SCHEMBL22831693 0.78 CYP2D6 (0.46) ATMALDH1A1MAPK1CYP2C19
SCHEMBL28152017 0.76 ATM (0.42) ATMALDH1A1MAPK1CYP2C19
SCHEMBL16300573 0.72 PEPD (0.37) ATMADAM10MMP2MMP9
SCHEMBL16349111 0.72 PEPD (0.37) ATMADAM10MMP2MMP9
SCHEMBL20139362 0.70 GRM2 (0.32) ALDH1A1MAPK1CYP2C19
SCHEMBL20139363 0.70 GRM2 (0.32) ALDH1A1MAPK1CYP2C19
SCHEMBL25364146 0.70 GRM2 (0.36) CYP2C19
SCHEMBL21806853 0.70 GRM2 (0.36) CYP2C19
SCHEMBL16300561 0.69 PEPD (0.33) ATM

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-2020264120-A1 PI3KGAMMA INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-30 WO disclosed