SCHEMBL5049362

SCHEMBL5049362

COC(=O)CCc1cccc(CNCc2ccc(-c3nccs3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
ADRB2 P07550 3/20 0.49
LOXL2 Q9Y4K0 1/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CTSD P07339 3/20 0.41
KCNB1 Q14721 2/20 0.41
LTA4H P09960 1/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
PORCN Q9H237 1/20 0.39
HDAC1 Q13547 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39

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
SCHEMBL5725023 0.90 ADRB2 (0.50) FFAR1ADRB2LOXL2ABL1BCR
SCHEMBL5046740 0.85 HDAC1 (0.44) FFAR1ADRB2HDAC1SIRT2
SCHEMBL27502515 0.82 ADRB2 (0.49) FFAR1ADRB2LOXL2ABL1BCR
SCHEMBL5046394 0.82 FFAR1 (0.54) FFAR1HDAC1SIRT2
SCHEMBL5043132 0.81 HDAC1 (0.45) PORCNHDAC1
SCHEMBL5046927 0.80 HDAC1 (0.51) FFAR1HDAC1
SCHEMBL5046698 0.80 HDAC1 (0.43) FFAR1HDAC1SIRT2
SCHEMBL5042997 0.79 TAS2R14 (0.49) FFAR1
SCHEMBL27492605 0.78 SLC2A4 (0.58) FFAR1ADRB2LOXL2
SCHEMBL1744617 0.78 FFAR1 (0.80) FFAR1

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