SCHEMBL8577467

SCHEMBL8577467

C=C(CCCCC)C(=O)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
MAPT P10636 1/20 0.46
LMNA P02545 4/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DGKA P23743 1/20 0.40
FAAH O00519 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LPAR6 P43657 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
ENPP2 Q13822 1/20 0.39

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
SCHEMBL28518954 0.98 TSHR (0.52) TSHRMAPTLMNAALDH1A1KDM4E
SCHEMBL28508268 0.98 TSHR (0.52) TSHRMAPTLMNAALDH1A1KDM4E
SCHEMBL9809116 0.95 TSHR (0.55) TSHRMAPTLMNAALDH1A1KDM4E
SCHEMBL27646476 0.84 TSHR (0.55) TSHRMAPTLMNAALDH1A1
SCHEMBL7861472 0.83 TSHR (0.46) TSHRMAPTLMNAALDH1A1MEN1
SCHEMBL28396873 0.82 TSHR (0.53) TSHRMAPTLMNAALDH1A1KMT2A
SCHEMBL9546088 0.82 MAPT (0.54) TSHRMAPTLMNAALDH1A1KDM4E
SCHEMBL15005729 0.81 FAAH (0.57) TSHRMAPTLMNAALDH1A1KDM4E
SCHEMBL5611620 0.81 MAPT (0.49) TSHRMAPTLMNAALDH1A1KDM4E
SCHEMBL5611611 0.81 MAPT (0.49) TSHRMAPTLMNAALDH1A1KDM4E

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
WO-1998011471-A1 DRY PEEL-APART IMAGING SYSTEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-19 WO disclosed
EP-0128226-A1 Synthetic polymer-propellant compositions forming cold foamed structures RESTECH RESEARCH LIMITED PARTNERSHIP (US) 1984-12-19 EP disclosed