SCHEMBL5048174

SCHEMBL5048174

COC(=O)c1ccc(CCCNCc2ccc(-c3nccs3)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.45
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.38
LTA4H P09960 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
SLC6A4 P31645 1/20 0.36
HDAC1 Q13547 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
PARP1 P09874 1/20 0.35
SYK P43405 1/20 0.35
PORCN Q9H237 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL5727210 0.79 S1PR1 (0.49) TP53HPGDHDAC1
SCHEMBL5725476 0.78 TP53 (0.46) TP53HPGDHDAC1MRGPRX4ALDH1A1
SCHEMBL5043181 0.77 ADRB2 (0.52) ADRB2LTA4HLOXL2HDAC1ALDH1A1
SCHEMBL5046350 0.74 CA12 (0.41)
SCHEMBL5727171 0.73 HDAC1 (0.46) TP53HDAC1ALDH1A1
SCHEMBL16812953 0.73 ADRB2 (0.70) ADRB2LTA4HLOXL2SLC6A4HDAC1
SCHEMBL27510096 0.70 ADRB2 (0.49) ADRB2LTA4HLOXL2ALDH1A1
SCHEMBL3352615 0.69 KDM4E (0.53) ADRB2TP53LOXL2SLC6A4HDAC1
SCHEMBL5049362 0.68 FFAR1 (0.50) ADRB2LTA4HLOXL2HDAC1PORCN
SCHEMBL2162296 0.68 HPGD (0.52) TP53HPGDMRGPRX4PARP1ALDH1A1

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