SCHEMBL7218092

SCHEMBL7218092

CCCCCCCC(C)C(=O)OCC(CC)CCCC

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.60
PRSS2 P07478 1/20 0.60
PRSS3 P35030 1/20 0.60
CYP3A4 P08684 4/20 0.58
TSHR P16473 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 5/20 0.55
CA2 P00918 2/20 0.55
RECQL P46063 1/20 0.52
LMNA P02545 4/20 0.50
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.46
ZDHHC7 Q9NXF8 1/20 0.45
FAAH O00519 1/20 0.43
ACE2 Q9BYF1 1/20 0.42

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
SCHEMBL28610202 0.98 PRSS1 (0.61) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL7217028 0.98 CYP3A4 (0.60) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL7218980 0.95 CYP3A4 (0.64) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926555 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926543 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926545 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926544 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926542 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926552 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR
SCHEMBL23926559 0.91 PRSS1 (0.53) PRSS1PRSS2PRSS3CYP3A4TSHR

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 3 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
CN-1349555-A Lubrication oil for refrigerator, hydraulic fluid compoistion for refrigerator and method for lubrication of refrigerator NEW JAPAN CHEMICALS CO LTD (JP) 2002-05-15 CN disclosed