SCHEMBL28794830

SCHEMBL28794830

O=COC(=O)C1CCCC(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.39
ACE P12821 1/20 0.39
ANPEP P15144 1/20 0.36
TSHR P16473 3/20 0.34
SLC6A1 P30531 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC6A11 P48066 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C1 Q04828 1/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRR1 P24046 1/20 0.32
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30

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
SCHEMBL13675135 0.83
SCHEMBL16176171 0.83 BTK (0.38) BTKACEANPEPTSHRSLC6A1
SCHEMBL1863893 0.79 ACE (0.44) BTKACEANPEPTSHRSLC6A1
SCHEMBL27755064 0.79 LMNA (0.40) ACEANPEPTSHRSLC6A1SMN1; SMN2
SCHEMBL7910612 0.79 ACE (0.44) BTKACEANPEPTSHRSLC6A1
SCHEMBL13843721 0.79 AAK1 (0.34) SMN1; SMN2HTTKMT2ATDP1
SCHEMBL27530748 0.79 CES2 (0.42) TSHRSMN1; SMN2HTTKMT2ATDP1
SCHEMBL6451745 0.79 CHRNB2 (0.32)
SCHEMBL13868097 0.78 ACE (0.48) BTKACEANPEPTSHRSLC6A1
SCHEMBL35888 0.78 ACE (0.48) BTKACEANPEPTSHRSLC6A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102807738-A Flame-retardant copolyether-ester composition and product containing same DU PONT 2012-12-05 CN disclosed
CN-102807739-A Flame-retardant copolyether ester composition and product containing same DU PONT 2012-12-05 CN disclosed
CN-102534862-A Monofilament brush bristle prepared from polytrimethylene terephthalate composition and brush comprising same DU PONT 2012-07-04 CN disclosed
CN-102464864-A Light-stable copolyether ester composition DU PONT 2012-05-23 CN disclosed
CN-102464869-A Light-stable copolyether ester composition DU PONT 2012-05-23 CN disclosed