SCHEMBL23388751

SCHEMBL23388751

CCNCC(=O)NCC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
TET2 Q6N021 1/20 0.48
GAA P10253 4/20 0.41
TSHR P16473 4/20 0.39
HSD17B10 Q99714 3/20 0.39
BIRC2 Q13490 1/20 0.38
KDM4E B2RXH2 3/20 0.38
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL800951 0.84
SCHEMBL8435029 0.83 RECQL (0.47) RECQLTET2GAATSHRHSD17B10
Hydrochloric Acid SCHEMBL2016633 0.81
SCHEMBL21153346 0.79 MCL1 (0.48) RECQLGAASMN1; SMN2ALDH1A1
SCHEMBL9853078 0.79 RECQL (0.64) RECQLTET2GAATSHRHSD17B10
SCHEMBL1790228 0.79
Acetic Acid SCHEMBL28343365 0.77 GAA (0.44) RECQLTET2GAATSHRHSD17B10
SCHEMBL1329568 0.77 FAAH (0.43) RECQLHSD17B10KDM4EALDH1A1
SCHEMBL5349106 0.77 RECQL (0.61) RECQLTET2GAATSHRHSD17B10
SCHEMBL24393751 0.77 MCL1 (0.37) RECQLGAAALDH1A1

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
WO-2021100019-A1 PRODRUGS OF ABIRATERONE SUVEN LIFE SCIENCES LIMITED (IN) 2021-05-27 WO disclosed
WO-2021100019-A1 PRODRUGS OF ABIRATERONE SUVEN LIFE SCIENCES LIMITED (IN) 2021-05-27 WO disclosed