SCHEMBL8668409

SCHEMBL8668409

CN(C(=O)OCc1ccccc1)c1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ABCB1 P08183 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
CDC25B P30305 1/20 0.40
LMNA P02545 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL2536241 0.83 LMNA (0.41) ALDH1A1MAPTHPGDL3MBTL1KMT2A
SCHEMBL2533235 0.81 ALDH1A1 (0.44) ALDH1A1HPGDTDP1MAPK1L3MBTL1
SCHEMBL8127898 0.80 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL8127809 0.78 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL2535686 0.78 TSHR (0.42) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL27558112 0.78 CHRNB2 (0.56) ALDH1A1MAPTHPGDTDP1MAPK1
Benzyl Dimethylcarbamate SCHEMBL20401678 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1
SCHEMBL16294301 0.76 RAB9A (0.36) HPGDKMT2ANPC1RAB9A
Benzyl Dimethylcarbamate SCHEMBL14031385 0.76 ALDH1A1 (0.62) ALDH1A1MAPTHPGDTDP1MAPK1

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-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed