SCHEMBL5046663

SCHEMBL5046663

CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3ccccn3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MCHR1 Q99705 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
HDAC1 Q13547 1/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
HIF1A Q16665 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NR1H2 P55055 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
SCHEMBL5043264 0.89 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5050279 0.88 KDM4E (0.46) SMN1; SMN2MEN1KMT2AHDAC1KDM4E
SCHEMBL5049381 0.87 ROCK2 (0.53) SMN1; SMN2MEN1KMT2AHDAC1KDM4E
SCHEMBL5046403 0.83 KDM4E (0.51) SMN1; SMN2ALDH1A1HDAC1KDM4EMAPK1
SCHEMBL5048180 0.83 ADRB2 (0.44) SMN1; SMN2MEN1KMT2ABCHEHDAC1
SCHEMBL5048113 0.83 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ABCHEHDAC1
SCHEMBL5049384 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ABCHEHDAC1
SCHEMBL5049396 0.80 CA12 (0.55) PTPN1
SCHEMBL15876016 0.79 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ABCHEHDAC1
SCHEMBL5046821 0.78 PTGER2 (0.48) SMN1; SMN2HDAC1KDM4E

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