SCHEMBL2931487

SCHEMBL2931487

O=C(CN1CCCC1=O)OCCOC(=O)CN1CCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.47
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.43
PIK3CD O00329 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL14048407 0.87 TSHR (0.50) TSHRHTTADRA1DADRA1AADRA1B
SCHEMBL13622260 0.86 PIK3CD (0.50) TSHRHTTADRA1DADRA1AADRA1B
SCHEMBL668453 0.86 TSHR (0.56) TSHRHTTADRA1DADRA1AADRA1B
SCHEMBL11259716 0.85 TSHR (0.63) TSHRHTTKMT2APOLBPIK3CD
SCHEMBL31632742 0.85 GAA (0.48) TSHRADRA1DADRA1AADRA1BKMT2A
SCHEMBL31632746 0.85 GAA (0.48) TSHRADRA1DADRA1AADRA1BKMT2A
SCHEMBL13622261 0.85 GAA (0.48) TSHRADRA1DADRA1AADRA1BKMT2A
SCHEMBL31632714 0.85 GAA (0.48) TSHRADRA1DADRA1AADRA1BKMT2A
SCHEMBL31632755 0.85 GAA (0.48) TSHRADRA1DADRA1AADRA1BKMT2A
SCHEMBL13622262 0.85 GAA (0.48) TSHRADRA1DADRA1AADRA1BKMT2A

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
EP-2080824-B1 A PROCESS FOR PRODUCING FIBER OF ULTRA HIGH MOLECULAR WEIGHT POLYETHYLENE HU PANPAN (CN) 2010-08-18 EP claimed