SCHEMBL8527418

SCHEMBL8527418

COc1cccc(OC)c1C(=O)OC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TSHR P16473 1/20 0.52
SLC6A3 Q01959 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.45

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
SCHEMBL8527413 0.89 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL9699076 0.85 KMT2A (0.52) TSHRNPC1RAB9AKMT2ALMNA
SCHEMBL23326704 0.84 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL446340 0.82 SLC6A3 (0.60) TSHRSLC6A3NPC1RAB9AKMT2A
SCHEMBL9467809 0.81 CA12 (0.67) CA12CA1CA2CA7CA9
Methoxymethane SCHEMBL28409022 0.80 TSHR (0.70) TSHRSLC6A3RAB9AKMT2ALMNA
SCHEMBL8423145 0.80 SLC6A3 (0.50) CA12CA1CA2CA7CA9
SCHEMBL8528111 0.80 KMT2A (0.51) TSHRSLC6A3NPC1RAB9AKMT2A
SCHEMBL27761411 0.80 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL8619008 0.79 SLC6A3 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433112-B1 Modified gangliosides and the functional derivatives thereof FIDIA SPA (IT) 1998-10-28 EP disclosed
US-5424294-A Treating central and peripheral nervous system disorders FIDIA S.P.A. (IT) 1995-06-13 US disclosed
US-5264424-A Modified gangliosides and the functional derivatives thereof FIDIA S.P.A. (IT) 1993-11-23 US disclosed
CN-1051912-A Improved gangliosides and functional derivatives thereof FIDIA B P A (IT) 1991-06-05 CN disclosed