SCHEMBL5046927

SCHEMBL5046927

COC(=O)CCc1cccc(CNCc2ccc(-c3cccnc3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.51
EPHX2 P34913 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
TBXAS1 P24557 1/20 0.46
SMPD1 P17405 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
FFAR1 O14842 1/20 0.42

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
SCHEMBL5046698 0.89 HDAC1 (0.43) HDAC1TBXAS1CCNCCDK8CYP11B1
SCHEMBL5046394 0.87 FFAR1 (0.54) HDAC1ALDH1A1KDM4ELMNAFFAR1
SCHEMBL12646562 0.86 HDAC1 (0.60) HDAC1TBXAS1SMPD1ALDH1A1MKNK1
SCHEMBL5043132 0.85 HDAC1 (0.45) HDAC1TBXAS1ALDH1A1KDM4ECCNC
SCHEMBL27509045 0.83 TBXAS1 (0.52) HDAC1EPHX2PRMT6TBXAS1MKNK1
SCHEMBL5046740 0.83 HDAC1 (0.44) HDAC1FFAR1ROCK2
SCHEMBL5049362 0.80 FFAR1 (0.50) HDAC1FFAR1
SCHEMBL5049393 0.80 PTGER2 (0.54) CYP11B1
SCHEMBL5046568 0.79 PTGER2 (0.54) ALDH1A1CYP11B1
Biphenyl SCHEMBL27548623 0.78 CYP1A2 (0.55) HDAC1TBXAS1ALDH1A1KDM4ELMNA

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