SCHEMBL9826591

SCHEMBL9826591

O=C(O)C1(C2CCCCC2)CCCCC1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
HSD11B1 P28845 3/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL28619670 0.77 HSD17B10 (0.36) HSD17B10
SCHEMBL24785431 0.77 LMNA (0.34) HSD17B10HSD11B1LMNATSHRCYP2C19
SCHEMBL24786028 0.77 LMNA (0.34) HSD17B10HSD11B1LMNATSHRCYP2C19
SCHEMBL18529426 0.76 HSD17B10 (0.40) HSD17B10
SCHEMBL31568085 0.76 HSD11B1 (0.37) HSD11B1
SCHEMBL17386420 0.76 HSD11B1 (0.34) HSD11B1LMNATSHRCYP2C19
SCHEMBL225900 0.76 HSD11B1 (0.34) HSD11B1LMNATSHRCYP2C19
SCHEMBL7018600 0.76 HSD11B1 (0.34) HSD11B1LMNATSHRCYP2C19
SCHEMBL1458781 0.76 HSD11B1 (0.34) HSD11B1LMNATSHRCYP2C19
SCHEMBL28886822 0.76 LMNA (0.33) HSD17B10HSD11B1LMNATSHRCYP2C19

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-109627658-B Composition comprising functionalized polyvinyl alcohol and nanocapsules containing a liquid crystalline medium 默克专利股份有限公司 2023-02-17 CN disclosed
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-B1 SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI KASEI CORPORATION (JP) 1991-05-29 EP disclosed
EP-0187015-A2 Squarilium compound and liquid crystal composition containing the same MITSUBISHI KASEI CORPORATION (JP) 1986-07-09 EP disclosed