SCHEMBL7469879

SCHEMBL7469879

COOC(=O)C(=O)c1cccc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
CNR2 P34972 1/20 0.45
NFE2L2 Q16236 1/20 0.44
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL18663736 0.86 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL7087158 0.84 CTSD (0.51) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6095123 0.83 KMT2A (0.56) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL11167218 0.81 KMT2A (0.55) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL344646 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL4590566 0.81 LMNA (0.52) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL6263649 0.79 KMT2A (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3762150 0.78 RAB9A (0.55) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL341046 0.77 NPC1 (0.58) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL152563 0.77 MAPT (0.59) NPC1RAB9ASMN1; SMN2TP53HPGD

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