SCHEMBL9067314

SCHEMBL9067314

COC(OC)OC(=O)CCCCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.54
ALDH1A1 P00352 3/20 0.47
LMNA P02545 4/20 0.46
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
AKR1B1 P15121 1/20 0.43
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL27499307 0.98 TSHR (0.52) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL9067312 0.91 LMNA (0.48) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL2304419 0.82 TSHR (0.48) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL2306799 0.82 TSHR (0.52) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL10918417 0.79 TSHR (0.48) TSHRALDH1A1LMNAAKR1B1GPR84
SCHEMBL58343 0.78 LMNA (0.67) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL14809980 0.77 LMNA (0.70) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL14809112 0.77 LMNA (0.70) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL14809726 0.77 LMNA (0.70) TSHRALDH1A1LMNANFKB1PMP22
SCHEMBL14809593 0.77 LMNA (0.70) TSHRALDH1A1LMNANFKB1PMP22

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
US-5092918-A Alkylenedicarboxylate Crystallization Inhibition MONSANTO COMPANY (US) 1992-03-03 US claimed
US-5576406-A ACRYLATE POLYMERS FOR PAINTS, ADHESIVES OR SEALS DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-11-19 US disclosed