SCHEMBL7469868

SCHEMBL7469868

COc1ccc(C(=O)C(=O)O)c(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
TUBB1 Q9H4B7 3/20 0.47
PDE4D Q08499 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP1B1 Q16678 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MCL1 Q07820 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL6932185 0.86 MAPT (0.51) MAPTTDP1ALDH1A1L3MBTL1PKM
SCHEMBL102827 0.84 MAPT (0.72) MAPTTDP1ALDH1A1L3MBTL1PKM
SCHEMBL7478982 0.83 MAPT (0.51) MAPTTDP1ALDH1A1L3MBTL1PKM
SCHEMBL344646 0.83 NPC1 (0.52) MAPTTDP1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL5061862 0.82 MAPT (0.70) MAPTTDP1ALDH1A1L3MBTL1PKM
Benzene SCHEMBL27688092 0.82 MAPT (0.70) MAPTTDP1ALDH1A1L3MBTL1PKM
Water SCHEMBL9749470 0.82 MAPT (0.70) MAPTTDP1ALDH1A1L3MBTL1PKM
SCHEMBL27341170 0.82 MAPT (0.70) MAPTTDP1ALDH1A1L3MBTL1PKM
SCHEMBL27888985 0.82 MAPT (0.51) MAPTTDP1ALDH1A1L3MBTL1PKM
SCHEMBL9726919 0.82 MAPT (0.58) MAPTTDP1ALDH1A1L3MBTL1PKM

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-1204657-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-15 EP disclosed
WO-2001012622-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed