SCHEMBL23917849

SCHEMBL23917849

CC(=O)OCc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
POLB P06746 1/20 0.66
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
RAB9A P51151 4/20 0.59
NPC1 O15118 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM1A O60341 2/20 0.59
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
TSHR P16473 1/20 0.59
ATM Q13315 1/20 0.59
MGLL Q99685 1/20 0.58
ROCK2 O75116 1/20 0.58
RCOR1 Q9UKL0 1/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54

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
SCHEMBL5582508 0.90 POLB (0.58) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL15623097 0.88 MEN1 (0.55) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL592715 0.88 POLB (0.66) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL1755631 0.88 MEN1 (0.55) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL10598558 0.87 POLB (0.69) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL10595799 0.87 POLB (0.73) ALDH1A1POLBTP53MAPTRAB9A
Benzyl Phenylcarbamate SCHEMBL1222943 0.87 POLB (0.78) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL1163051 0.87 GAA (0.66) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL16329499 0.86 MEN1 (0.53) ALDH1A1POLBTP53MAPTRAB9A
SCHEMBL1160238 0.86 POLB (0.64) ALDH1A1POLBTP53MAPTRAB9A

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
EP-3892305-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY Sutro Biopharma, Inc. (US) 2021-10-13 EP disclosed