SCHEMBL8840296

SCHEMBL8840296

C=CC(=O)OCCCCCC(C)C.CCCCCCCCOC(=O)C1=CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
LMNA P02545 1/20 0.39
HCAR2 Q8TDS4 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
ESR1 P03372 4/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL9651160 0.84 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31621131 0.84 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL3190479 0.84 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL6142430 0.84 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL9488008 0.84 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28877228 0.84 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL420649 0.82 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4LMNA
SCHEMBL423893 0.82 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4LMNA
SCHEMBL10401487 0.81 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL28368297 0.81 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4HCAR2

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
EP-0790884-A1 METHOD OF APERTURING THIN SHEET MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-08-27 EP disclosed
WO-1996014191-A1 METHOD OF APERTURING THIN SHEET MATERIALS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-17 WO disclosed