SCHEMBL7217153

SCHEMBL7217153

CC(C)CCCCOC(=O)C(C)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.38
RARB P10826 1/20 0.38
LMNA P02545 1/20 0.34
PTPN1 P18031 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
CA1 P00915 4/20 0.31
HRH3 Q9Y5N1 2/20 0.31
NAAA Q02083 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ACHE P22303 1/20 0.31
KISS1R Q969F8 1/20 0.31

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
SCHEMBL7223675 0.98 RARB (0.37) BLMRARBLMNAPTPN1KDM4C
SCHEMBL7217229 0.98 RARB (0.37) BLMRARBLMNAPTPN1KDM4C
SCHEMBL7217831 0.98 RARB (0.37) BLMRARBLMNAPTPN1KDM4C
SCHEMBL14292486 0.94 BLM (0.39) BLMRARBLMNAPTPN1TDP1
Acrylic Acid SCHEMBL27575799 0.87 TSHR (0.41) BLMRARBLMNAPTPN1KDM4C
SCHEMBL7223762 0.85 CA1 (0.43) LMNATDP1CA1CA12CA2
SCHEMBL7217746 0.84 NAAA (0.48) LMNACA1NAAACA12CA2
SCHEMBL7218963 0.84 BLM (0.38) BLMRARBLMNACA1NAAA
SCHEMBL7223870 0.82 NAAA (0.52) LMNANAAAACHE
SCHEMBL7224119 0.82 NAAA (0.38) BLMRARBNAAAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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