SCHEMBL410705

SCHEMBL410705

CCC(CCCCCOC(=O)CS)CCCCOC(=O)CS

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
FAAH O00519 1/20 0.38
CA2 P00918 2/20 0.37
HTR2C P28335 1/20 0.37
DGKA P23743 1/20 0.36
CPB2 Q96IY4 1/20 0.36
HCAR2 Q8TDS4 1/20 0.35
RECQL P46063 1/20 0.35
HSD17B10 Q99714 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34

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
SCHEMBL410872 0.95 NAAA (0.53) NAAATSHRCYP3A4ATMTDP1
SCHEMBL10457781 0.88 NAAA (0.56) NAAATSHRRAD52NPSR1PRSS1
SCHEMBL25186643 0.83 CYP3A4 (0.55) NAAATSHRCYP3A4ATMTDP1
SCHEMBL20483674 0.81 NAAA (0.42) NAAATSHRTDP1RAD52NPSR1
SCHEMBL16470092 0.81 NAAA (0.42) NAAATSHRTDP1RAD52NPSR1
SCHEMBL35880 0.81 NAAA (0.42) NAAATSHRTDP1RAD52NPSR1
SCHEMBL7109679 0.81 NAAA (0.42) NAAATSHRTDP1RAD52NPSR1
SCHEMBL97045 0.80 NAAA (0.50) NAAATSHRCYP3A4RAD52NPSR1
SCHEMBL96893 0.80 NAAA (0.50) NAAATSHRCYP3A4RAD52NPSR1
SCHEMBL11585668 0.80 NAAA (0.50) NAAATSHRCYP3A4RAD52NPSR1

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-8816021-B2 Curable composition with rubber-like properties DESIGNER MOLECULES, INC. (US) 2014-08-26 US disclosed
US-20120065336-A1 CURABLE COMPOSITION WITH RUBBER-LIKE PROPERTIES DESIGNER MOLECULES, INC. (US) 2012-03-15 US disclosed