SCHEMBL9053452

SCHEMBL9053452

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
ESR2 Q92731 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL9053361 0.95 ALDH1A1 (0.51) L3MBTL1ALDH1A1POLBRECQLESR2
SCHEMBL9053457 0.77 ALDH1A1 (0.42) L3MBTL1ALDH1A1POLBRECQLESR2
SCHEMBL28231702 0.76 SMN1; SMN2 (0.54) ALDH1A1HPGDLMNAMAPTGPR139
SCHEMBL28231704 0.76 SMN1; SMN2 (0.54) ALDH1A1HPGDLMNAMAPTGPR139
SCHEMBL9067652 0.76 GPR139 (0.57) L3MBTL1ALDH1A1HPGDMAPTGPR139
SCHEMBL9067648 0.74 ACE (0.46) ALDH1A1TDP1HPGDLMNAMAPT
SCHEMBL16273746 0.74 CYP1A2 (0.55)
SCHEMBL30074492 0.73 ACE (0.50) L3MBTL1ALDH1A1HPGDMAPTMEN1
SCHEMBL9054028 0.72 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPT
SCHEMBL9053371 0.71 ALDH1A1 (0.41) L3MBTL1ALDH1A1POLBRECQLESR2

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