SCHEMBL4737443

SCHEMBL4737443

COC(=O)CCC(=O)CCC=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 4/20 0.42
CA12 O43570 3/20 0.42
CA14 Q9ULX7 3/20 0.42
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.39
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
AKT1 P31749 1/20 0.35
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL28496533 0.88 TSHR (0.60) TSHRLMNAKDM4EALDH1A1CA12
SCHEMBL242764 0.86
SCHEMBL25187 0.83 TSHR (0.81) TSHRLMNAKDM4EALDH1A1CA12
SCHEMBL10481290 0.83 TSHR (0.81) TSHRLMNAKDM4EALDH1A1CA12
SCHEMBL14092783 0.79 TSHR (0.65) TSHRLMNAKDM4EALDH1A1CA12
SCHEMBL1714308 0.78 ALDH1A1 (0.34) TSHRALDH1A1MAPTHPGD
SCHEMBL1714217 0.78 ALDH1A1 (0.34) TSHRALDH1A1MAPTHPGD
SCHEMBL9618343 0.78 HIF1A (0.41) TSHRLMNAALDH1A1MAPTHPGD
SCHEMBL9820196 0.78 TSHR (0.50) TSHRLMNAKDM4EALDH1A1KMT2A
SCHEMBL28515816 0.78 HDAC6 (0.38) TSHRLMNAKDM4ECA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3151372-A None JP disclosed
WO-2008089487-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed
WO-2008089485-A2 CARBOXYETHYLPYRROLE COMPOUNDS AND METHODS OF THEIR PRODUCTION THE CLEVELAND CLINIC FOUNDATION (US) 2008-07-24 WO disclosed
EP-0473842-B2 Flavouring composition containing gamma-jasmolactone, the use of such a flavouring composition or gamma-jasmolactone per se for flavouring foodstuffs as well as the flavoured foodstuffs obtained QUEST INT (NL) 2003-05-07 EP disclosed
US-5783244-A Flavoring composition containing gamma-jasmolacton UNILEVER PATENT HOLDINGS B.V. (NL) 1998-07-21 US disclosed
EP-0473842-B1 Flavouring composition containing gamma-jasmolactone, the use of such a flavouring composition or gamma-jasmolactone per se for flavouring foodstuffs as well as the flavoured foodstuffs obtained QUEST INT (NL) 1996-01-03 EP disclosed
EP-0473842-A1 Flavouring composition containing gamma-jasmolactone, the use of such a flavouring composition or gamma-jasmolactone per se for flavouring foodstuffs as well as the flavoured foodstuffs obtained QUEST INTERNATIONAL B.V. (NL) 1992-03-11 EP disclosed
JP-H03151372-A PRODUCTION OF GAMMA-JASMOLACTONE TOYOTAMA KORYO KK 1991-06-27 JP disclosed