SCHEMBL10971010

SCHEMBL10971010

CC(=CCCCCCCCCCc1ccccc1)CCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
HDAC3 O15379 1/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
HDAC4 P56524 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC1 Q13547 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
TBXAS1 P24557 3/20 0.49

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
SCHEMBL10971007 1.00 MAPT (0.63) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL8624953 0.80 LSS (0.49) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL8624956 0.80 LSS (0.49) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL27225877 0.80 MAPT (0.79) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL9603179 0.80 MAPT (0.79) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL8618485 0.79 LSS (0.48) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL8621505 0.79 LSS (0.48) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL2553009 0.79 MAPT (1.00) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL770290 0.79 MAPT (1.00) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL1008045 0.79 MAPT (1.00) MAPTRXFP1HDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153403-A4 CHEMICAL COMPOUNDS. MALLINCKRODT INC (US) 1985-12-11 EP disclosed
EP-0153403-A1 CHEMICAL COMPOUNDS Mallinckrodt, Inc. (a Delaware corporation) (US) 1985-09-04 EP disclosed
WO-1985000753-A1 CHEMICAL COMPOUNDS MALLINCKRODT, INC. (US) 1985-02-28 WO disclosed