SCHEMBL9053361

SCHEMBL9053361

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
ESR2 Q92731 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 2/20 0.42
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40

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
SCHEMBL9053452 0.95 L3MBTL1 (0.48) ALDH1A1L3MBTL1POLBRECQLESR2
SCHEMBL9067652 0.78 GPR139 (0.57) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL9053457 0.77 ALDH1A1 (0.42) ALDH1A1L3MBTL1POLBRECQLESR2
SCHEMBL16273746 0.77 CYP1A2 (0.55)
SCHEMBL9067648 0.77 ACE (0.46) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL28231704 0.76 SMN1; SMN2 (0.54) ALDH1A1RAB9AMEN1KMT2AHPGD
SCHEMBL28231702 0.76 SMN1; SMN2 (0.54) ALDH1A1RAB9AMEN1KMT2AHPGD
SCHEMBL9053371 0.74 ALDH1A1 (0.41) ALDH1A1L3MBTL1POLBRECQLESR2
SCHEMBL28286556 0.72 MME (0.39) L3MBTL1ATM
SCHEMBL9653855 0.72 ALDH1A1 (0.58) ALDH1A1L3MBTL1POLBRECQLESR2

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