SCHEMBL29593452

SCHEMBL29593452

C[C@H](OC(=O)c1cccc(C=O)c1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
UNG P13051 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 8/20 0.45
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CTSB P07858 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL313874 0.84 TDP1 (0.65) MAOAMAOBUNGSLC6A2SLC6A3
SCHEMBL2223288 0.77 SMN1; SMN2 (0.57) UNGKMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14570073 0.77 MAPT (0.54) SLC6A2SLC6A3KMT2ATDP1RAB9A
SCHEMBL16217665 0.77 UNG (0.47) UNGRAB9ANPC1SMN1; SMN2POLB
SCHEMBL11761107 0.74 ALDH1A1 (0.62) SLC6A2SLC6A3KMT2ATDP1RAB9A
SCHEMBL29592341 0.74 ALDH1A1 (0.62) SLC6A2SLC6A3KMT2ATDP1RAB9A
SCHEMBL16217649 0.74 UNG (0.43) UNGRAB9ANPC1SMN1; SMN2POLB
SCHEMBL12744030 0.73 TDP1 (0.50) SLC6A2SLC6A3KMT2ATDP1RAB9A
SCHEMBL29733178 0.73 MAOA (0.51) MAOAMAOBKMT2AALDH1A1LMNA
SCHEMBL321579 0.72 LMNA (0.51) MAOBSLC6A2SLC6A3KMT2ATDP1

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-2022047008-A1 HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF TARVEDA THERAPEUTICS, INC. (US) 2022-03-03 WO disclosed