SCHEMBL9067256

SCHEMBL9067256

C=C(CCC)C(=O)OCC(C)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
TSHR P16473 5/20 0.42
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MAPK1 P28482 1/20 0.30
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL9546088 0.89 MAPT (0.54) MAPTTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL7137118 0.88 TDP1 (0.46) MAPTTSHRHSD17B10TDP1
SCHEMBL7706137 0.84 TSHR (0.45) MAPTTSHRHSD17B10TDP1ALDH1A1
SCHEMBL31390462 0.83 KDM4E (0.38) MAPTTSHRTDP1ALDH1A1KDM4E
SCHEMBL2022273 0.83 TSHR (0.41) MAPTTSHRALDH1A1
SCHEMBL10441987 0.81 MAPT (0.42) MAPTTSHRKDM4EDUSP3MEN1
SCHEMBL7188584 0.81 KDM4E (0.51) MAPTTSHRKDM4EDUSP3MEN1
SCHEMBL6988086 0.80 TSHR (0.43) MAPTTSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL27994202 0.80 TSHR (0.39) MAPTTSHRLMNAMAPK1
SCHEMBL3379752 0.80 TSHR (0.45) MAPTTSHRHSD17B10MAPK1

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-0401722-B1 Use of blowing compositions DAIKIN IND LTD (JP) 1996-04-24 EP disclosed
US-5070113-A MINIMIZATION OF DEPLETION OF OZONE LAYER DAIKIN INDUSTRIES, LTD. (JP) 1991-12-03 US disclosed