SCHEMBL5679104

SCHEMBL5679104

N[C@@H](CS)CCCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
ANPEP P15144 1/20 0.44

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
Hydrochloric Acid SCHEMBL7622225 0.99 LTA4H (0.53) LTA4HL3MBTL1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5680859 0.99 LTA4H (0.53) LTA4HL3MBTL1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL5683063 0.99 LTA4H (0.53) LTA4HL3MBTL1HDAC3HDAC4HDAC1
SCHEMBL5682815 0.99 LTA4H (0.55) LTA4HL3MBTL1HRH3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5683008 0.97 LTA4H (0.54) LTA4HL3MBTL1HRH3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5682900 0.97 LTA4H (0.54) LTA4HL3MBTL1HRH3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7616065 0.97 LTA4H (0.54) LTA4HL3MBTL1HRH3CYP1A2CYP2D6
SCHEMBL5681063 0.94 LTA4H (0.57) LTA4HL3MBTL1HRH3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5679740 0.93 LTA4H (0.55) LTA4HL3MBTL1HRH3CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL5679742 0.93 LTA4H (0.55) LTA4HL3MBTL1HRH3CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP claimed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP claimed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP claimed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO claimed
EP-1144348-B1 LTA 4 HYDROLASE INHIBITORS BIOPROJET SOC CIV (FR) 2006-02-08 EP disclosed
EP-1144348-A3 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2002-09-11 EP disclosed
EP-1144348-A2 LTA 4? HYDROLASE INHIBITORS BIOPROJET (FR) 2001-10-17 EP disclosed
WO-2000017133-A2 LTA4 HYDROLASE INHIBITORS BIOPROJET (FR) 2000-03-30 WO disclosed