SCHEMBL28600804

SCHEMBL28600804

COS(=O)(=O)Oc1cccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
PGR P06401 1/20 0.45
GAA P10253 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR1B P28222 4/20 0.41
HTR1D P28221 1/20 0.41
KEAP1 Q14145 1/20 0.41
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2316712 0.88 ALDH1A1 (0.47) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL29037273 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL476328 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL11408937 0.81 TSHR (0.47) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6810785 0.80 CA2 (0.35) ALDH1A1HSD17B10MAPK1MEN1KMT2A
SCHEMBL1692540 0.80 ALDH1A1 (0.47) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL28020558 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10PGRGAAPTGS1
Ethylenediamine SCHEMBL27862580 0.80 HTR1B (0.61) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL27498233 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1
Ammonia Solution, Strong SCHEMBL27701243 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10PGRGAAPTGS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-213295063-U Recovery device for treating naphthylmethyl ether sulfuric acid mother liquor 江苏大学 2021-05-28 CN disclosed
CN-213295063-U Recovery device for treating naphthylmethyl ether sulfuric acid mother liquor 江苏大学 2021-05-28 CN disclosed