SCHEMBL5046659

SCHEMBL5046659

COC(=O)CCCCCCNCc1ccc(-n2ccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
NOS2 P35228 2/20 0.46
ADRB1 P08588 4/20 0.45
ADRB2 P07550 3/20 0.45
ADRB3 P13945 3/20 0.45

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
SCHEMBL2513928 0.83 HTT (0.57) TBXAS1HTTALDH1A1HDAC3HDAC1
SCHEMBL9310898 0.81 HTT (0.61) TBXAS1HTTALDH1A1MAPK8MAPK10
SCHEMBL5046386 0.80 ALDH1A1 (0.44) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16781355 0.78 LMNA (0.53) TBXAS1HTTHDAC3HDAC1HDAC2
SCHEMBL9309767 0.78 HTT (0.51) TBXAS1HTTALDH1A1MAPK8MAPK10
SCHEMBL13614231 0.76 CYP3A4 (0.52) TBXAS1HTTHDAC3HDAC1HDAC2
SCHEMBL13903744 0.75 HDAC3 (0.66) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL16730575 0.75 HDAC3 (0.66) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL5043236 0.74 ALDH1A1 (0.48) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL20852025 0.73 CYP3A4 (0.50) TBXAS1HTTHDAC3HDAC1HDAC2

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