SCHEMBL28013353

SCHEMBL28013353

O=C(CCc1ccco1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
NR4A2 P43354 1/20 0.50
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
GAA P10253 1/20 0.46
CYP2C19 P33261 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 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
SCHEMBL7215287 0.85 POLB (0.56) TDP1L3MBTL1MAPTLMNANPC1
SCHEMBL1449481 0.81 TDP1 (0.48) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL236223 0.81 ALDH1A1 (0.54) TDP1L3MBTL1MAPTRAB9AALDH1A1
SCHEMBL29999843 0.80 CES2 (0.55) TDP1L3MBTL1MAPTRAB9ACTNNB1
Hydrochloric Acid SCHEMBL27401794 0.79 ALDH1A1 (0.52) TDP1L3MBTL1MAPTRAB9AALDH1A1
SCHEMBL11011624 0.79 ALDH1A1 (0.48) TDP1L3MBTL1MAPTNPC1RAB9A
SCHEMBL29011883 0.79 TSHR (0.42) TDP1L3MBTL1MAPTLMNARAB9A
Bicarbonate SCHEMBL29658892 0.78 ALDH1A1 (0.52) TDP1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL1734175 0.78 CYP19A1 (0.55) TDP1L3MBTL1MAPTNPC1RAB9A
SCHEMBL8829971 0.77 GAA (0.50) TDP1LMNANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102430-B Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2025-03-14 CN disclosed
CN-116102430-A Alkylation synthesis method for in-situ catalytic alcohols 中山大学 2023-05-12 CN disclosed
CN-111807971-B Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2023-03-24 CN disclosed
CN-113200832-B Method for catalyzing non-tension nonpolar carbon-carbon single bond hydrogenolysis of dicarbonyl compound 复旦大学 2022-03-18 CN disclosed
CN-113200832-A Method for catalyzing non-tension nonpolar carbon-carbon single bond hydrogenolysis of dicarbonyl compound 复旦大学 2021-08-03 CN disclosed
CN-111807971-A Alkylation synthesis method for in-situ catalysis of alcohols 中山大学 2020-10-23 CN disclosed
CN-106478325-B A method of synthesis alpha-alkyl ketone 南京理工大学 2019-06-25 CN disclosed
CN-105439787-B Method for synthesizing α -alkyl ketone 南京理工大学 2018-02-13 CN disclosed
CN-106478325-A A kind of method of synthesis alpha-alkyl ketone 南京理工大学 2017-03-08 CN disclosed
CN-104557500-B A kind of method of synthetic alpha-alkyl ketone NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-05-18 CN disclosed
CN-105439787-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2016-03-30 CN disclosed
CN-104557500-A Method for synthesizing alpha-alkyl ketone UNIV NANJING SCIENCE & TECH 2015-04-29 CN disclosed