SCHEMBL28613229

SCHEMBL28613229

CC(C)Oc1ccccc1C(=O)O.CC(C)Oc1ccccc1C(=O)O.O=C(O)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.57
KDM4E B2RXH2 9/20 0.56
ALDH1A1 P00352 9/20 0.56
HSD17B10 Q99714 7/20 0.56
HPGD P15428 5/20 0.56
ESR1 P03372 1/20 0.56
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
HMGB1 P09429 1/20 0.56
TSHR P16473 1/20 0.56
GGT1 P19440 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
BLM P54132 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
MEN1 O00255 2/20 0.47

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
SCHEMBL234522 1.00 IRAK4 (0.57) IRAK4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL104892 0.88 IRAK4 (0.70) IRAK4KDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL236925 0.87 IRAK4 (0.68) IRAK4KDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL21811920 0.87 IRAK4 (0.68) IRAK4KDM4EALDH1A1HSD17B10HPGD
Benzene SCHEMBL27809575 0.87 IRAK4 (0.68) IRAK4KDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL29943521 0.87 IRAK4 (0.68) IRAK4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL10763308 0.87 IRAK4 (0.68) IRAK4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL27787798 0.84 IRAK4 (0.60) IRAK4KDM4EALDH1A1HSD17B10HPGD
Bicarbonate SCHEMBL29983437 0.83 IRAK4 (0.58) IRAK4KDM4EALDH1A1HSD17B10HPGD
SCHEMBL28436471 0.82 HTT (0.62) KDM4EALDH1A1HSD17B10HPGDESR1

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-114746488-A Films with special properties 科思创知识产权两合公司 2022-07-12 CN disclosed
CN-114650915-A Layer structure with modified structure and production thereof 科思创知识产权两合公司 2022-06-21 CN disclosed
CN-108290820-B Method for recovering aromatic alcohol from melt polymerization and system for recovering same 沙特基础工业全球技术有限公司 2021-10-01 CN disclosed
CN-113242795-A Plastic film with high opacity and low transparency for identification documents with transparent window 科思创知识产权两合公司 2021-08-10 CN disclosed