SCHEMBL6284087

SCHEMBL6284087

O=C(O)CCCOCC(COCCCC(=O)O)(COCCC(=O)O)COCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
LMNA P02545 3/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
NFKB1 P19838 2/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CAMK2A Q9UQM7 1/20 0.37
HDAC11 Q96DB2 2/20 0.36
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRB3 P28472 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
SCHEMBL10215089 0.91 LMNA (0.40) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15697253 0.88 CAMK2A (0.44) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15697252 0.88 CAMK2A (0.44) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15697256 0.86 LMNA (0.46) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15697257 0.86 LMNA (0.46) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL10172465 0.82 TSHR (0.44) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL15721706 0.81 TSHR (0.56) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL18073440 0.81 TSHR (0.56) TSHRLMNASLC22A6NFKB1PMP22
SCHEMBL22994951 0.81 LMNA (0.32) TSHRLMNAPMP22HDAC11GABRR3
SCHEMBL14963645 0.81 LMNA (0.46) TSHRLMNAALDH1A1HDAC3THRB

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-6933361-B2 Thermally re-mendable cross-linked polymers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-08-23 US disclosed
US-20040014933-A1 Thermally re-mendable cross-linked polymers NATIONAL SCIENCE FOUNDATION 2004-01-22 US disclosed