SCHEMBL8605960

SCHEMBL8605960

CC(OC(=O)Cl)OC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
MAPT P10636 2/20 0.57
KMT2A Q03164 7/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 2/20 0.47
APP P05067 1/20 0.46
GAA P10253 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SIRT1 Q96EB6 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
SCHEMBL5363086 0.88 ALDH1A1 (0.63) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL5353554 0.86 ALDH1A1 (0.58) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL5363067 0.84 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL14351365 0.84 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL847660 0.83 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL1628833 0.82 ALDH1A1 (0.78) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL30827513 0.82 ALDH1A1 (0.78) ALDH1A1MAPTKMT2ALMNAL3MBTL1
SCHEMBL29458655 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
Ammonia Solution, Strong SCHEMBL27461059 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1
Hydrochloric Acid SCHEMBL8066446 0.81 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ALMNAL3MBTL1

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-5789595-A ANTICOAGULANTS TERUMO KABUSHIKI KAISHA (JP) 1998-08-04 US disclosed
EP-0790247-A1 TETRAHYDROISOQUINOLINE DERIVATIVE AND MEDICINAL PREPARATION CONTAINING THE SAME TERUMO KABUSHIKI KAISHA (JP) 1997-08-20 EP disclosed