SCHEMBL9053457

SCHEMBL9053457

C[C@@H](NC(=O)CN)C(=O)NCC(=O)OC(=O)COC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 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
SCHEMBL9053371 0.82 ALDH1A1 (0.41) ALDH1A1L3MBTL1TDP1POLBRECQL
SCHEMBL9053361 0.77 ALDH1A1 (0.51) ALDH1A1L3MBTL1TDP1POLBRECQL
SCHEMBL9053452 0.77 L3MBTL1 (0.48) ALDH1A1L3MBTL1TDP1POLBRECQL
SCHEMBL23754766 0.70 LMNA (0.58) ALDH1A1L3MBTL1TDP1GAAKDM4E
SCHEMBL11656501 0.69 ALDH1A1 (0.50) ALDH1A1TDP1LMNA
SCHEMBL11656504 0.69 ALDH1A1 (0.50) ALDH1A1TDP1LMNA
SCHEMBL8773117 0.69 TDP1 (0.57) ALDH1A1L3MBTL1TDP1ESR2GAA
SCHEMBL27636791 0.69 PRSS1 (0.55) L3MBTL1RECQLGAAKDM4EHPGD
Trifluoroacetic Acid SCHEMBL11661114 0.68 RECQL (0.37) RECQL
Trifluoroacetic Acid SCHEMBL11661111 0.68 RECQL (0.37) RECQL

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-1996007629-A1 TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION MALLINCKRODT MEDICAL, INC. (US) 1996-03-14 WO disclosed