SCHEMBL7313229

SCHEMBL7313229

CN(C)CCOc1ccc(Cl)c([C]=O)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE7A Q13946 1/20 0.43
PDE1C Q14123 1/20 0.43
HTR7 P34969 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7303821 0.85 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL7313232 0.77 ADRB2 (0.55) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7280924 0.76 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7303363 0.72 MAPT (0.41) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL7310904 0.72 TSHR (0.55) KDM4EALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7302521 0.71 TDP1 (0.54) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7310393 0.71 TSHR (0.57) KDM4EALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL7311890 0.70 CLCN2 (0.51) SMN1; SMN2MEN1KMT2AMAPK1MAPT
SCHEMBL7309187 0.70 VCAM1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL18851368 0.69 MAPT (0.61) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed