SCHEMBL5046423

SCHEMBL5046423

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
KMT2A Q03164 2/20 0.45
NR1H4 Q96RI1 3/20 0.45
EPHX2 P34913 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL5046394 0.83 FFAR1 (0.54) HDAC1KMT2AKDM4ELMNAMEN1
SCHEMBL12993003 0.82 SIRT2 (0.49) KMT2ANR1H4KDM4EGAALMNA
SCHEMBL5046428 0.82 HDAC1 (0.43) HDAC1KMT2AMEN1SIRT2
SCHEMBL2008590 0.82 NR1H4 (0.54) KMT2ANR1H4EPHX2GAARAB9A
SCHEMBL5047991 0.81 KDM4E (0.62) HDAC1KMT2AKDM4EMEN1
SCHEMBL5725590 0.80 HDAC1 (0.53) HDAC1KMT2ANR1H4EPHX2KDM4E
SCHEMBL13778171 0.79 KMT2A (0.52) HDAC1KMT2ANR1H4EPHX2KDM4E
SCHEMBL5046740 0.79 HDAC1 (0.44) HDAC1KMT2AMEN1SIRT2
SCHEMBL5726533 0.79 SMN1; SMN2 (0.56) HDAC1KMT2ANR1H4EPHX2KDM4E
SCHEMBL5046698 0.78 HDAC1 (0.43) HDAC1KMT2AMEN1SIRT2

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