SCHEMBL3883813

SCHEMBL3883813

CC(CCOC(=O)CCCC(=O)O)OC(=O)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
DGKA P23743 1/20 0.39
NPC1 O15118 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PAM P19021 2/20 0.36
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 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
SCHEMBL9317626 0.97 DGKA (0.43) TSHRDGKALMNAALDH1A1PAM
SCHEMBL15512804 0.88 DGKA (0.42) TSHRDGKANPC1LMNAALDH1A1
SCHEMBL536517 0.87 ALDH1A1 (0.42) TSHRDGKANPC1LMNAALDH1A1
SCHEMBL1498053 0.85 ALDH1A1 (0.44) DGKANPC1LMNAALDH1A1PAM
SCHEMBL28493170 0.84 TSHR (0.50) TSHRDGKANPC1SLC22A6ALDH1A1
SCHEMBL29308246 0.83 DGKA (0.61) TSHRDGKALMNAALDH1A1PAM
SCHEMBL29582411 0.83 DGKA (0.61) TSHRDGKALMNAALDH1A1PAM
SCHEMBL21266960 0.83 DGKA (0.61) TSHRDGKALMNAALDH1A1PAM
SCHEMBL10555566 0.82 TSHR (0.48) TSHRSLC22A6LMNAALDH1A1
SCHEMBL23159109 0.81 DGKA (0.65) DGKALMNAALDH1A1PAMMAPT

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-1979397-A4 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RES GROUP INC (US) 2009-04-08 EP disclosed
EP-1979397-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-10-15 EP disclosed
WO-2008051241-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-05-02 WO disclosed