SCHEMBL28422713

SCHEMBL28422713

C=CCOC(=O)CCC(C)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
FAAH O00519 1/20 0.31

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
SCHEMBL18561873 1.00 TSHR (0.54) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL18561874 1.00 TSHR (0.54) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL27471330 0.86 TSHR (0.50) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL28851713 0.84 TSHR (0.36) TSHRTDP1CYP3A4ATML3MBTL1
SCHEMBL7783972 0.83 TDP1 (0.64) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL2492438 0.83 TSHR (0.60) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL20640432 0.81 TDP1 (0.34) TSHRTDP1
SCHEMBL28006363 0.81 TSHR (0.53) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL1547587 0.81 TSHR (0.53) TSHRTDP1SMN1; SMN2PKMALDH1A1
SCHEMBL8909059 0.80 TSHR (0.51) TSHRTDP1SMN1; SMN2PKMALDH1A1

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
CN-111356762-A Lipase variants and microcapsule compositions comprising such lipase variants 诺维信公司 2020-06-30 CN disclosed