SCHEMBL8528111

SCHEMBL8528111

COc1cccc(C(=O)OC(=O)c2ccccc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 2/20 0.50
SLC6A3 Q01959 1/20 0.50
USP2 O75604 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL8528108 0.90 KMT2A (0.59) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL1573402 0.88 LMNA (0.53) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL8526794 0.88 PKM (0.53) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL446340 0.87 SLC6A3 (0.60) KMT2ANPC1RAB9AALDH1A1KDM4E
SCHEMBL8423145 0.84 SLC6A3 (0.50) POLBNPC1RAB9AALDH1A1SLC6A3
SCHEMBL29986971 0.82 MAPT (0.57) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL322169 0.82 MAPT (0.57) KMT2APOLBNPC1RAB9AALDH1A1
Benzoic Acid SCHEMBL28816580 0.81 HTT (0.56) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL870485 0.81 NPC1 (0.52) KMT2APOLBNPC1RAB9AALDH1A1
SCHEMBL28095416 0.81 MAPT (0.55) KMT2APOLBNPC1RAB9AALDH1A1

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 6 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
CN-1033031-C Modified gangliosides and functional derivatives thereof FIDIA SPA (IT) 1996-10-16 CN 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
EP-0433112-A1 Modified gangliosides and the functional derivatives thereof FIDIA S.p.A. (IT) 1991-06-19 EP disclosed
US-4327088-A ANTIVIRAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-04-27 US disclosed