SCHEMBL5046428

SCHEMBL5046428

COC(=O)CCc1cccc(CNCc2ccc(CC(C)C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
PTPN1 P18031 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC7A5 Q01650 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CXCR1 P25024 1/20 0.40
CXCR2 P25025 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL21103819 0.88 SLC7A5 (0.50) HDAC1SIRT2PTPN1SLC7A5
SCHEMBL5046394 0.83 FFAR1 (0.54) HDAC1SIRT2PTPN1MEN1KMT2A
SCHEMBL27524253 0.82 HDAC3 (0.46) HDAC1HDAC3HDAC2HDAC8SMN1; SMN2
SCHEMBL5046423 0.82 HDAC1 (0.46) HDAC1SIRT2MEN1KMT2A
SCHEMBL7930119 0.82 ADRB2 (0.52) CXCR1CXCR2
SCHEMBL5047991 0.81 KDM4E (0.62) HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL5046740 0.79 HDAC1 (0.44) HDAC1SIRT2PTPN1MEN1KMT2A
SCHEMBL5046698 0.78 HDAC1 (0.43) HDAC1SIRT2PTPN1MEN1KMT2A
SCHEMBL13840665 0.78 SLC7A5 (0.56) SIRT2PTPN1SLC7A5
SCHEMBL25146355 0.78 HRH3 (0.50) HDAC2HDAC8CXCR1CXCR2

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