SCHEMBL7217119

SCHEMBL7217119

CCCC(C)C(=O)OCCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RARB P10826 1/20 0.37
BLM P54132 1/20 0.37
EPHX1 P07099 1/20 0.36
ATM Q13315 1/20 0.35
ACHE P22303 3/20 0.35
TSHR P16473 2/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL7223410 0.98 NAAA (0.41) CA1NAAAALDH1A1SMN1; SMN2MEN1
SCHEMBL7217056 0.98 NAAA (0.41) CA1NAAAALDH1A1SMN1; SMN2MEN1
SCHEMBL7219082 0.98 NAAA (0.41) CA1NAAAALDH1A1SMN1; SMN2MEN1
SCHEMBL7217422 0.91 CA1 (0.50) CA1NAAAALDH1A1BLMEPHX1
SCHEMBL7223694 0.91 CA1 (0.46) CA1NAAAALDH1A1BLMEPHX1
SCHEMBL14457774 0.90 NAAA (0.47) NAAAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7224913 0.89 CA1 (0.48) CA1NAAAALDH1A1EPHX1TSHR
SCHEMBL7219243 0.89 CA1 (0.44) CA1NAAAALDH1A1BLMEPHX1
SCHEMBL7224922 0.89 CA1 (0.48) CA1NAAAALDH1A1EPHX1TSHR
SCHEMBL7223864 0.89 CA1 (0.48) CA1NAAAALDH1A1EPHX1TSHR

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