SCHEMBL5048113

SCHEMBL5048113

CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3cncnc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.43
ROCK2 O75116 4/20 0.41
ROCK1 Q13464 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
HDAC1 Q13547 2/20 0.41
PSMB5 P28074 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
BCHE P06276 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 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
SCHEMBL5046403 0.90 KDM4E (0.51) SMN1; SMN2KDM4EROCK2ROCK1CYP3A4
SCHEMBL5049381 0.90 ROCK2 (0.53) SMN1; SMN2KDM4EROCK2ROCK1CYP3A4
SCHEMBL5043264 0.85 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EROCK2ROCK1CYP3A4
SCHEMBL5050279 0.85 KDM4E (0.46) SMN1; SMN2KDM4EROCK2ROCK1CYP3A4
SCHEMBL5046663 0.83 L3MBTL1 (0.45) SMN1; SMN2KDM4EHDAC1BCHEMEN1
SCHEMBL5049384 0.83 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EHDAC1BCHEMEN1
SCHEMBL5048180 0.82 ADRB2 (0.44) SMN1; SMN2KDM4EROCK2ROCK1CYP3A4
SCHEMBL15876016 0.80 SMN1; SMN2 (0.45) SMN1; SMN2HDAC1BCHEMEN1KMT2A
SCHEMBL5046565 0.79 MAPT (0.46) SMN1; SMN2KDM4ECYP3A4CYP2D6MEN1
SCHEMBL5046821 0.77 PTGER2 (0.48) SMN1; SMN2KDM4EHDAC1

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-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed