SCHEMBL29079463

SCHEMBL29079463

CN(C)c1ccccc1.O=C(O)c1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
MAPT P10636 5/20 0.70
HPGD P15428 4/20 0.70
KDM4E B2RXH2 6/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
KMT2A Q03164 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
NPC1 O15118 4/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 5/20 0.50
NR4A2 P43354 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 1/20 0.46
JMJD6 Q6NYC1 1/20 0.46

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
Benzyl Benzoate SCHEMBL29079453 0.89 ALDH1A1 (0.88) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL181934 0.89 TDP1 (0.73) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL29079458 0.87 ALDH1A1 (0.86) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL312910 0.84 TDP1 (0.81) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL4339340 0.83 ALDH1A1 (1.00) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL29017512 0.83 ALDH1A1 (0.88) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL11985700 0.80 TDP1 (0.69) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL15534582 0.80 RAB9A (0.72) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL27337757 0.80 KMT2A (0.69) ALDH1A1MAPTHPGDKDM4ERAB9A
SCHEMBL312211 0.79 KMT2A (0.72) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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-116804825-A Composition for forming silicon-containing metal hard mask and pattern forming method 信越化学工业株式会社 2023-09-26 CN disclosed