SCHEMBL9034669

SCHEMBL9034669

COC(=O)CCCCOc1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
HTT P42858 2/20 0.52
HPGD P15428 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
NPC1 O15118 2/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
P2RY12 Q9H244 1/20 0.49
LTA4H P09960 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49

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
SCHEMBL21260769 0.98 L3MBTL1 (0.57) L3MBTL1HTTHPGDHDAC8DRD2
SCHEMBL13612294 0.98 L3MBTL1 (0.57) L3MBTL1HTTHPGDHDAC8DRD2
SCHEMBL14163893 0.98 L3MBTL1 (0.57) L3MBTL1HTTHPGDHDAC8DRD2
SCHEMBL13948678 0.95 L3MBTL1 (0.61) L3MBTL1HTTHPGDDRD2DRD4
SCHEMBL4275826 0.91 HDAC1 (0.56) L3MBTL1HTTHDAC8KMT2AALDH1A1
SCHEMBL10738896 0.89 L3MBTL1 (0.68) L3MBTL1HTTHPGDDRD2DRD4
SCHEMBL14566050 0.86 MAPT (0.56) L3MBTL1HTTHPGDHDAC8NPC1
SCHEMBL14678652 0.86 L3MBTL1 (0.59) L3MBTL1HTTHPGDKMT2AMEN1
SCHEMBL6330955 0.85 KDM4E (0.55) HTTHPGDHDAC8DRD2DRD4
SCHEMBL810018 0.85 PPARD (0.53) L3MBTL1HTTHDAC8KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
EP-0712405-A1 DERIVATIVES OF MONIC ACIDS A AND C HAVING ANTIBACTERIAL, ANTIMYCOPLASMATICAL, ANTIFUNGAL AND HERBICIDAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
WO-1995005384-A1 DERIVATIVES OF MONIC ACIDS A AND C HAVING ANTIBACTERIAL, ANTIMYCOPLASMATICAL, ANTIFUNGAL AND HERBICIDAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-23 WO disclosed