SCHEMBL5138047

SCHEMBL5138047

CC=C(C)C(=O)OC(=O)CCCCC(=O)OC(=O)C(C)=CC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 3/20 0.35
DGKA P23743 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGS1 P23219 1/20 0.32
PRKCA P17252 2/20 0.32
PAM P19021 2/20 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
SCHEMBL27765915 0.92 TSHR (0.45) TSHRALDH1A1LMNA
SCHEMBL4372085 0.91 ALDH1A1 (0.40) TSHRALDH1A1
SCHEMBL273140 0.90 DGKA (0.50) TSHRALDH1A1LMNADGKAMAPT
SCHEMBL15255073 0.89 DGKA (0.48) TSHRALDH1A1LMNADGKAMAPT
SCHEMBL3305570 0.89 ALDH1A1 (0.37) TSHRALDH1A1LMNADGKAMAPT
SCHEMBL10792933 0.89 DGKA (0.48) TSHRALDH1A1LMNADGKAMAPT
SCHEMBL15392575 0.87 ALDH1A1 (0.40) TSHRALDH1A1LMNADGKAPTGS1
SCHEMBL28092776 0.83 FAAH (0.53) LMNAMAPTPTGS1PRKCA
SCHEMBL5866441 0.81 ALDH1A1 (0.36) TSHRALDH1A1LMNA
SCHEMBL6836609 0.81 ALDH1A1 (0.36) TSHRALDH1A1LMNA

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-2008052265-A1 A PROTHROMBOGENIC BIOMATERIAL FOR TISSUE REPAIR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2008-05-08 WO claimed
WO-2008052265-A1 A PROTHROMBOGENIC BIOMATERIAL FOR TISSUE REPAIR QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2008-05-08 WO disclosed