SCHEMBL5088087

SCHEMBL5088087

CCOc1cccc(OCC)c1C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
GLA P06280 1/20 0.53
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAOB P27338 2/20 0.47
GAA P10253 2/20 0.47
HCRTR1 O43613 2/20 0.47
CREBBP Q92793 1/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
THRB P10828 1/20 0.45

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
Acetic Acid SCHEMBL27342288 0.89 CA9 (0.55) CA9L3MBTL1GLATSHRALDH1A1
SCHEMBL29788611 0.89 MAOB (0.61) CA9L3MBTL1GLACYP3A4TSHR
SCHEMBL1448829 0.89 MAOB (0.61) CA9L3MBTL1GLACYP3A4TSHR
SCHEMBL22002621 0.88 KDM4E (0.47) CA9L3MBTL1GLACYP3A4TSHR
SCHEMBL8262562 0.87 KMT2A (0.50) CA9L3MBTL1GLACYP3A4TSHR
SCHEMBL1672245 0.83 CA12 (0.61) CA9L3MBTL1GLATSHRGAA
SCHEMBL4508665 0.83 MAOB (0.47) CA9MAOBALDH1A1LMNATHRB
SCHEMBL16955383 0.83 ALDH1A1 (0.48) CA9L3MBTL1GLAGAAHCRTR1
SCHEMBL16666142 0.82 GLA (0.52) L3MBTL1GLACYP3A4TSHRGAA
SCHEMBL11516666 0.82 L3MBTL1 (0.52) CA9L3MBTL1GLAGAAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115960480-A Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-04-14 CN claimed
CN-115960480-A Light response self-repairing material containing thymine derivative and application thereof 合肥工业大学 2023-04-14 CN disclosed
WO-2008018692-A1 NOVEL CHALCONE DERIVATIVES WHICH INHIBIT THE IL-5 ACTIVITY THE INDUSTRY AND ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (IAC) (KR) 2008-02-14 WO disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed