SCHEMBL24960898

SCHEMBL24960898

COC(=O)C1CCN(CC(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LTA4H P09960 1/20 0.44
TP53 P04637 1/20 0.44
CYP2D6 P10635 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PIK3CD O00329 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL14417074 0.90 TP53 (0.50) SMN1; SMN2ALDH1A1TP53CYP2D6POLB
SCHEMBL3281160 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LTA4HTP53POLB
SCHEMBL25664000 0.81 PIK3CD (0.47) SMN1; SMN2ALDH1A1CYP2D6POLBKDM4E
SCHEMBL22675502 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LTA4HTP53POLB
SCHEMBL25663999 0.81 PIK3CD (0.47) SMN1; SMN2ALDH1A1CYP2D6POLBKDM4E
SCHEMBL23375191 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LTA4HTP53POLB
SCHEMBL12443041 0.81 POLB (0.47) SMN1; SMN2ALDH1A1POLBKDM4ETDP1
SCHEMBL16556615 0.81 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1LTA4HTP53POLB
SCHEMBL25664009 0.81 PIK3CD (0.47) SMN1; SMN2ALDH1A1CYP2D6POLBKDM4E
SCHEMBL24633509 0.80 TP53 (0.47) SMN1; SMN2ALDH1A1LTA4HTP53POLB

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-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 EP disclosed
WO-2023006019-A1 POLYSUBSTITUTED BENZENE PD-L1 INHIBITOR, COMPOSITION AND USE THEREOF 杭州和正医药有限公司 2023-02-02 WO disclosed