SCHEMBL4241206

SCHEMBL4241206

CCOc1cc(C=O)ccc1OCc1ccc(OC)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.74
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
ALDH1A1 P00352 8/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
FDPS P14324 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ADAMTS5 Q9UNA0 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8983142 0.94 NPC1 (0.65) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL2699064 0.90 ALDH1A1 (0.66) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL3397230 0.90 PDCD1 (0.67) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL12335182 0.90 TACR2 (0.60) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL2463491 0.89 NPC1 (0.63) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL2556112 0.88 TACR2 (0.76) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL13220784 0.85 TACR2 (1.00) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL22291225 0.85 L3MBTL1 (0.58) TACR2TDP1NPC1RAB9APDCD1
SCHEMBL662145 0.85 TACR2 (0.75) TACR2TDP1NPC1RAB9AALDH1A1
SCHEMBL1609108 0.85 TACR2 (0.75) TACR2TDP1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507523-A4 CINNAMIC ACID DIMERS, THEIR PREPARATION AND THE USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASE KOREA INST SCI & TECH (KR) 2009-07-15 EP disclosed
EP-1507523-A1 CINNAMIC ACID DIMERS, THEIR PREPARATION AND THE USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASE Korea Institute of Science and Technology (KR) 2005-02-23 EP disclosed
WO-2003099269-A1 CINNAMIC ACID DIMERS, THEIR PREPARATION AND THE USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2003-12-04 WO disclosed