SCHEMBL9680709

SCHEMBL9680709

O=C(O)CCCCCCCCCCc1ccc[nH]1.O=C(O)CCCCCc1ccc[nH]1.O=C(O)CCCc1ccc[nH]1.O=C(O)CCc1ccc[nH]1.O=C(O)Cc1ccc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TBXAS1 P24557 8/20 0.44
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
F13A1 P00488 3/20 0.38

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
SCHEMBL2932213 0.89 MAPT (0.55) MAPTRXFP1TBXAS1HDAC3HDAC4
SCHEMBL30661655 0.89 MAPT (0.55) MAPTRXFP1TBXAS1HDAC3HDAC4
SCHEMBL736113 0.89 MAPT (0.55) MAPTRXFP1TBXAS1HDAC3HDAC4
SCHEMBL1471746 0.89 MAPT (0.55) MAPTRXFP1TBXAS1HDAC3HDAC4
SCHEMBL27608146 0.88 MAPT (0.52) MAPTRXFP1TBXAS1HDAC3HDAC4
SCHEMBL736098 0.86 HDAC3 (0.52) MAPTRXFP1TBXAS1HDAC3HDAC4
SCHEMBL735832 0.83 TSHR (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28269903 0.81 EPHX2 (0.50) MAPTRXFP1TSHRCYP1A2CYP2C9
SCHEMBL253592 0.79
Hydrochloric Acid SCHEMBL6546575 0.78 ALDH1A1 (0.47) MAPTTSHR

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-0493511-A1 BIOSENSOR AND PROCESS FOR PRODUCING IT PITTNER, Fritz, Ass.Prof.Doz.Dr. (AT) 1992-07-08 EP disclosed
WO-1991006625-A1 BIOSENSOR AND PROCESS FOR PRODUCING IT PITTNER FRITZ (AT) 1991-05-16 WO disclosed