SCHEMBL5046740

SCHEMBL5046740

COC(=O)CCc1cccc(CNCc2ccc(-c3ncccn3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.42
PRKACA P17612 2/20 0.41
PRKX P51817 2/20 0.41
PRKCQ Q04759 2/20 0.41
ROCK1 Q13464 2/20 0.41
GRK5 P34947 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
PTPN1 P18031 2/20 0.40
ROCK2 O75116 2/20 0.40
FFAR1 O14842 1/20 0.39
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL5725017 0.89 HDAC1 (0.46) HDAC1SMN1; SMN2PRKACAPRKXPRKCQ
SCHEMBL5049362 0.85 FFAR1 (0.50) HDAC1SIRT2FFAR1ADRB2
SCHEMBL5046394 0.85 FFAR1 (0.54) HDAC1SMN1; SMN2SIRT2PTPN1FFAR1
SCHEMBL5043132 0.83 HDAC1 (0.45) HDAC1ROCK2
SCHEMBL5046927 0.83 HDAC1 (0.51) HDAC1ROCK2FFAR1
SCHEMBL5046698 0.82 HDAC1 (0.43) HDAC1CNR2PRKACAPRKXPRKCQ
SCHEMBL5046428 0.79 HDAC1 (0.43) HDAC1SMN1; SMN2SIRT2PTPN1MEN1
SCHEMBL5046423 0.79 HDAC1 (0.46) HDAC1SIRT2MEN1KMT2A
SCHEMBL5047991 0.78 KDM4E (0.62) HDAC1SMN1; SMN2FFAR1MEN1KMT2A
SCHEMBL5043236 0.78 ALDH1A1 (0.48) HDAC1SMN1; SMN2HDAC3HDAC2HDAC8

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