SCHEMBL29475419

SCHEMBL29475419

CC(C)(C)c1cc(CCl)cc(C=O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
MAPT P10636 4/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 2/20 0.50
ATM Q13315 2/20 0.50
HIF1A Q16665 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
GAA P10253 4/20 0.42
LMNA P02545 3/20 0.42
GSR P00390 2/20 0.41
GABBR2 O75899 2/20 0.41
GABBR1 Q9UBS5 2/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL917208 1.00 ALDH1A1 (0.50) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL4143769 0.88 ALDH1A1 (0.51) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL2461602 0.86 ALDH1A1 (0.53) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL31489807 0.83 ALDH1A1 (0.50) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL98076 0.82 ALDH1A1 (0.59) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL15151745 0.78 GAA (0.46) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL12904884 0.78 ALDH1A1 (0.51) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL310827 0.77 ERN1 (0.64) ALDH1A1MAPTTSHRMAPK1MEN1
SCHEMBL31346731 0.77 ERN1 (0.48) MAPTLMNAERN1
SCHEMBL14186853 0.77 ERN1 (0.48) MAPTLMNAERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638285-B CO (carbon monoxide)2Porous bifunctional catalyst for cycloaddition reaction, and preparation method and application thereof 中国矿业大学 2025-01-10 CN claimed
CN-118638285-A CO (carbon monoxide)2Porous bifunctional catalyst for cycloaddition reaction, and preparation method and application thereof 中国矿业大学 2024-09-13 CN claimed
EP-3804853-B1 PREPARATION METHOD FOR S-INDOXACARB JINGBO AGROCHEMICALS TECH CO LTD (CN) 2022-03-23 EP claimed
CN-120496932-A Ageing-resistant cable for photovoltaic power generation 广东日鸿电缆有限公司 2025-08-15 CN disclosed
CN-118638285-B CO (carbon monoxide)2Porous bifunctional catalyst for cycloaddition reaction, and preparation method and application thereof 中国矿业大学 2025-01-10 CN disclosed
CN-119119400-A Polymeric Schiff base metal compound and preparation method and application thereof 中国科学院长春应用化学研究所 2024-12-13 CN disclosed
CN-118638285-A CO (carbon monoxide)2Porous bifunctional catalyst for cycloaddition reaction, and preparation method and application thereof 中国矿业大学 2024-09-13 CN disclosed