SCHEMBL5665671

SCHEMBL5665671

CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C.CC(CCC(OOC(=O)c1ccccc1)C(C)C)OOC(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.36
F2 P00734 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32

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
SCHEMBL4462319 0.88 LMNA (0.47) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL8166783 0.88 LMNA (0.47) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL9860726 0.85 TDP1 (0.54) TSHRTDP1ALDH1A1HSD17B10LMNA
Benzoyl Peroxide SCHEMBL5897837 0.79 TDP1 (0.71) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL10340068 0.79 LMNA (0.57) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL2464406 0.78 TDP1 (0.74) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL29389199 0.76 TDP1 (0.51) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL6561805 0.75 LMNA (0.52) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL1450846 0.74 TDP1 (0.51) TSHRTDP1ALDH1A1HSD17B10LMNA
SCHEMBL5897840 0.74 TDP1 (0.62) TSHRTDP1ALDH1A1HSD17B10LMNA

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-1497360-A4 SOFT CHEMICALLY FOAMED THERMOPLASTIC VULCANIZATE FOR SEALING APPLICATION BY ROBOTIC EXTRUSION ADVANCED ELASTOMER SYSTEMS (US) 2006-05-31 EP disclosed
EP-1497360-A1 SOFT CHEMICALLY FOAMED THERMOPLASTIC VULCANIZATE FOR SEALING APPLICATION BY ROBOTIC EXTRUSION Advanced Elastomer Systems, L.P. (US) 2005-01-19 EP disclosed
WO-2003095538-A1 SOFT CHEMICALLY FOAMED THERMOPLASTIC VULCANIZATE FOR SEALING APPLICATION BY ROBOTIC EXTRUSION ADVANCED ELASTOMER SYSTEMS, L.P. (US) 2003-11-20 WO disclosed