SCHEMBL5046698

SCHEMBL5046698

COC(=O)CCc1cccc(CNCc2ccc(-c3cncnc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.43
SCN8A Q9UQD0 1/20 0.42
FFAR1 O14842 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PTPN1 P18031 2/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
ROCK2 O75116 2/20 0.39
CNR2 P34972 1/20 0.39
TBXAS1 P24557 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PRKACA P17612 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL5046927 0.89 HDAC1 (0.51) HDAC1FFAR1CYP11B1CYP11B2CCNC
SCHEMBL5046394 0.87 FFAR1 (0.54) HDAC1FFAR1SIRT2PTPN1MEN1
SCHEMBL18253151 0.84 HDAC1 (0.49) HDAC1FFAR1CYP11B1CYP11B2CCNC
SCHEMBL5046740 0.82 HDAC1 (0.44) HDAC1FFAR1SIRT2PTPN1ROCK2
SCHEMBL5043132 0.82 HDAC1 (0.45) HDAC1CCNCCDK8ROCK2TBXAS1
SCHEMBL5049362 0.80 FFAR1 (0.50) HDAC1FFAR1SIRT2
SCHEMBL5724830 0.79 FFAR1 (0.45) HDAC1SCN8AFFAR1
SCHEMBL5049409 0.78 TAS2R14 (0.51) PTPN1
SCHEMBL5046423 0.78 HDAC1 (0.46) HDAC1SIRT2MEN1KMT2A
SCHEMBL5046428 0.78 HDAC1 (0.43) HDAC1SIRT2PTPN1MEN1KMT2A

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