SCHEMBL7222777

SCHEMBL7222777

CCCOC(=O)C(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC7A5 Q01650 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14818476 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNACYP2C19ESR1
SCHEMBL7223728 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNACYP2C19ESR1
SCHEMBL7217746 0.85 NAAA (0.48) HCAR2ALDH1A1LMNACYP3A4TSHR
SCHEMBL7224701 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL7218946 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL7218986 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL7218197 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL7218843 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL7223870 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHR
SCHEMBL7223762 0.82 CA1 (0.43) ALDH1A1LMNATDP1GAARNPEP

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-115044922-B Preparation method of pyridoimidazole skeleton fused ring compound under electrocatalytic action 青岛科技大学 2024-02-13 CN claimed
CN-115044922-B Preparation method of pyridoimidazole skeleton fused ring compound under electrocatalytic action 青岛科技大学 2024-02-13 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed