SCHEMBL9354751

SCHEMBL9354751

CNN(C)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ABCB1 P08183 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CCR6 P51684 1/20 0.48
PAX8 Q06710 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 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
SCHEMBL11868898 0.83 SMN1; SMN2 (0.56) ALDH1A1MAPTHPGDABCB1NPC1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL7694380 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDABCB1MAPK1
Benzyl Dimethylcarbamate SCHEMBL14031385 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDABCB1MAPK1
Benzyl Dimethylcarbamate SCHEMBL20401678 0.82 ALDH1A1 (0.62) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL250619 0.80 ALDH1A1 (0.60) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL6896134 0.80 ALDH1A1 (0.51) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL26296065 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL9611293 0.80 ALDH1A1 (0.47) ALDH1A1MAPTHPGDABCB1MAPK1
SCHEMBL20716127 0.79 ALDH1A1 (0.55) ALDH1A1MAPTHPGDABCB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed