SCHEMBL7994876

SCHEMBL7994876

COc1ccccc1OCCOC(=O)Nc1ccccc1C

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.69
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LMNA P02545 4/20 0.49
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.45
POLB P06746 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
SCHEMBL7992893 0.90 NPC1 (0.58) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7992723 0.85 NPC1 (0.53) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7980660 0.82 NPC1 (0.68) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7992789 0.81 NPSR1 (0.76) NPSR1NPC1RAB9AKMT2AMAPT
SCHEMBL7980688 0.80 KMT2A (0.59) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7994880 0.79 MEN1 (0.53) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL17856292 0.78 NPC1 (0.65) NPC1RAB9AL3MBTL1KMT2AMAPT
SCHEMBL7994813 0.77 NPSR1 (0.80) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7992673 0.77 RAB9A (0.54) NPSR1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL7998343 0.76 NPSR1 (0.74) NPSR1NPC1RAB9AL3MBTL1KMT2A

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
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US claimed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO claimed
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US disclosed
WO-1999061251-A1 THERMALLY-RESPONSIVE RECORD MATERIAL CONTAINING A CARBAMATE COMPONENT BAYER AKTIENGESELLSCHAFT (DE) 1999-12-02 WO disclosed