SCHEMBL7994813

SCHEMBL7994813

COc1ccccc1OCCOC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.80
ATM Q13315 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 2/20 0.60
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
TP53 P04637 1/20 0.56
CNR1 P21554 1/20 0.54
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7980668 0.87 MEN1 (0.60) NPSR1ATMSMN1; SMN2LMNANPC1
SCHEMBL7995034 0.86 NPC1 (0.59) NPSR1ATMSMN1; SMN2LMNANPC1
SCHEMBL7994779 0.81 NPC1 (0.80) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7992789 0.80 NPSR1 (0.76) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7995865 0.79 NPC1 (0.67) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL7991473 0.78 NPC1 (0.70) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7980732 0.78 NPC1 (0.80) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7994876 0.77 NPSR1 (0.69) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7992207 0.76 RAB9A (0.63) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL7991486 0.76 KCNA5 (0.61) SMN1; SMN2LMNANPC1RAB9ATP53

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
US-6294502-B1 Thermally-responsive record material BAYER AKTIENGESELLSCHAFT (DE) 2001-09-25 US 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