SCHEMBL7994880

SCHEMBL7994880

Cc1ccccc1NC(=O)OCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPT P10636 7/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
ALOX12 P18054 2/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR4 O95977 1/20 0.49
POLB P06746 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7992723 0.88 NPC1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7992207 0.83 RAB9A (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7992735 0.82 MEN1 (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7992893 0.82 NPC1 (0.58) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL21596093 0.79 MAPT (0.59) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL7994876 0.79 NPSR1 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7980660 0.77 NPC1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7992673 0.75 RAB9A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7980668 0.75 MEN1 (0.60) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29135033 0.75 MAPT (0.60) NPC1RAB9AMAPTL3MBTL1ALDH1A1

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
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