SCHEMBL18334306

SCHEMBL18334306

CCCCC(CC)C(=O)OCC(C)(CO)CO

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.59
CA1 P00915 4/20 0.59
MAPK1 P28482 1/20 0.50
ATM Q13315 2/20 0.43
GAA P10253 1/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL2806008 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL187925 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL31396735 0.89 CA2 (0.59) CA2CA1MAPK1ATMGAA
SCHEMBL247218 0.88 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL11324334 0.88 CA2 (0.58) CA2CA1MAPK1ATMGAA
SCHEMBL813789 0.86 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL1004665 0.86 CA2 (0.56) CA2CA1MAPK1ATMGAA
SCHEMBL14337402 0.85 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL296220 0.85 CA2 (0.63) CA2CA1MAPK1ATMGAA
SCHEMBL9960580 0.85 CA2 (0.63) CA2CA1MAPK1ATMGAA

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
EP-3109303-B1 COMPOSITION FOR HEAT CYCLE SYSTEM, AND HEAT CYCLE SYSTEM AGC INC (JP) 2019-11-06 EP disclosed
EP-3109303-A1 COMPOSITION FOR HEAT CYCLE SYSTEM, AND HEAT CYCLE SYSTEM Asahi Glass Company, Limited (JP) 2016-12-28 EP disclosed
CN-106029852-A Composition for heat cycle system and heat cycle system 旭硝子株式会社 2016-10-12 CN disclosed