SCHEMBL27660507

SCHEMBL27660507

CC(O)C(=O)Oc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
MAPK1 P28482 2/20 0.58
PGR P06401 1/20 0.58
GAA P10253 1/20 0.58
PTGS1 P23219 1/20 0.58
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 3/20 0.49
NR2E1 Q9Y466 4/20 0.48
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP2 P08253 1/20 0.47
CYP2D6 P10635 4/20 0.46
CYP1A2 P05177 4/20 0.46
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
SLC6A4 P31645 3/20 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
SCHEMBL11991237 0.88 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL10714230 0.88 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL10713841 0.88 ALDH1A1 (0.60) ALDH1A1HSD17B10MAPK1PGRGAA
Hydrochloric Acid SCHEMBL27504502 0.86 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL8664311 0.86 HSD17B10 (0.57) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL28048746 0.86 HSD17B10 (0.57) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL27602513 0.85 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL246709 0.85 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL10770213 0.85 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1PGRGAA
SCHEMBL4600933 0.85 ALDH1A1 (0.57) ALDH1A1HSD17B10MAPK1PGRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008288-A Addition of aluminum reagents to sulfate-containing waste stream reduce sulfate concentration ECOLAB USA INC 2015-10-28 CN claimed
CN-112996799-A Composition for protecting nerve cells comprising naphthopyrone derivative derived from sprout of cassia seed 韩国科学技术研究院 2021-06-18 CN disclosed
CN-106796178-B Oxoanion concentration determination using aluminum reagents 艺康美国股份有限公司 2020-03-17 CN disclosed
CN-105008288-A Addition of aluminum reagents to sulfate-containing waste stream reduce sulfate concentration ECOLAB USA INC 2015-10-28 CN disclosed
CN-1849391-B Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP 2014-06-11 CN disclosed
CN-1849391-A Nitrilases, nucleic acids encoding nitrilases, and methods of making and using the same DIVERSA CORP (US) 2006-10-18 CN disclosed