SCHEMBL29033348

SCHEMBL29033348

CC(Nc1ccccc1)C(=O)OC(=O)C(C)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
GAA P10253 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KLK7 P49862 1/20 0.42
KMT2A Q03164 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL27416960 0.89 TDP1 (0.44) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL158072 0.88 KMT2A (0.52) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL4526290 0.88 KMT2A (0.52) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL4681333 0.88 KMT2A (0.52) TDP1GAAHSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4859605 0.86 KMT2A (0.50) TDP1GAAHSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL27739077 0.86 KMT2A (0.50) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL11211654 0.85 TDP1 (0.47) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL6026706 0.83 ELANE (0.53) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL655368 0.83 ELANE (0.53) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL8031605 0.83 ELANE (0.53) TDP1GAAHSD17B10ALDH1A1TSHR

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
CN-114917360-B Construction method and application of small-particle-size nano system for co-delivery of small-molecule drug and siRNA 暨南大学 2023-07-14 CN disclosed