SCHEMBL11618249

SCHEMBL11618249

CC(C)CCCCCOC(=O)CS.CC(C)CCCCCOC(=O)CS.[SrH2]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
RARB P10826 1/20 0.40
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FAAH O00519 1/20 0.35
CYP19A1 P11511 1/20 0.35
HTR2C P28335 1/20 0.34
PTPN1 P18031 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CPB2 Q96IY4 1/20 0.33
DGKA P23743 1/20 0.33

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
SCHEMBL20483674 0.98 NAAA (0.42) NAAARARBBLMRAD52NPSR1
SCHEMBL35880 0.98 NAAA (0.42) NAAARARBBLMRAD52NPSR1
SCHEMBL16470092 0.98 NAAA (0.42) NAAARARBBLMRAD52NPSR1
SCHEMBL7109679 0.98 NAAA (0.42) NAAARARBBLMRAD52NPSR1
SCHEMBL11343827 0.96 NAAA (0.41) NAAARARBRAD52NPSR1TSHR
SCHEMBL10965988 0.96 NAAA (0.41) NAAARARBRAD52NPSR1TSHR
SCHEMBL10887814 0.96 NAAA (0.41) NAAARARBRAD52NPSR1TSHR
SCHEMBL11659652 0.96 NAAA (0.41) NAAARARBRAD52NPSR1TSHR
SCHEMBL6129204 0.96 NAAA (0.41) NAAARARBRAD52NPSR1TSHR
SCHEMBL10892486 0.96 NAAA (0.41) NAAARARBRAD52NPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4126627-A PROCESS FOR PREPARING ALKALINE EARTH METAL MERCAPTIDES PENNWALT CORPORATION (US) 1978-11-21 US disclosed