SCHEMBL5046565

SCHEMBL5046565

CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
HTT P42858 4/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP4Z1 Q86W10 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 2/20 0.44
ADRB1 P08588 3/20 0.44
ADRB2 P07550 2/20 0.44
ADRB3 P13945 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PORCN Q9H237 1/20 0.43
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL5046821 0.84 PTGER2 (0.48) LMNASMN1; SMN2RAB9AKDM4E
SCHEMBL5049381 0.82 ROCK2 (0.53) HTTSMN1; SMN2MAPK1CYP3A4CYP2D6
SCHEMBL5046682 0.80 PTGER2 (0.54)
SCHEMBL5043264 0.80 SMN1; SMN2 (0.49) HTTALDH1A1L3MBTL1SMN1; SMN2MAPK1
SCHEMBL5049384 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25425980 0.79 CYP11B1 (0.53) MAPTLMNAHTTALDH1A1CYP4Z1
SCHEMBL5046403 0.79 KDM4E (0.51) ALDH1A1TP53SMN1; SMN2MAPK1CYP3A4
SCHEMBL5048113 0.79 SMN1; SMN2 (0.45) HTTSMN1; SMN2MAPK1CYP3A4CYP2D6
SCHEMBL5046418 0.78 PTGER2 (0.62)
SCHEMBL5050279 0.78 KDM4E (0.46) HTTSMN1; SMN2MAPK1CYP3A4CYP2D6

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