SCHEMBL8401423

SCHEMBL8401423

CC(O)COCC(O)Cc1ccc(CC(O)COCC(C)O)cc1.OCCOCC(O)c1ccc(C(O)COCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
HCRTR2 O43614 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
POLB P06746 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
PTGS2 P35354 1/20 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
SCHEMBL7021468 0.82 HSD17B10 (0.45) HSD17B10ADRB2ADRB1ADRB3POLB
SCHEMBL7541159 0.78 TSHR (0.39) ADRB2ADRB3TDP1KDM4E
SCHEMBL3837560 0.74 CA1 (0.47) TDP1KDM4EMAPT
SCHEMBL10799380 0.72 PPARG (0.40) HSD17B10ADRB2ADRB1ADRB3POLB
SCHEMBL1170181 0.71 CA1 (0.45) KDM4EMAPT
SCHEMBL20958127 0.71 CA1 (0.45) KDM4EMAPT
SCHEMBL16265139 0.71 HSD17B10 (0.60) HSD17B10ADRB2ADRB1TDP1KDM4E
SCHEMBL22497668 0.71
SCHEMBL1071881 0.71
SCHEMBL13558573 0.71 POLB (0.35) HSD17B10POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5994421-A CROSSLINKING SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed