SCHEMBL5681069

SCHEMBL5681069

N[C@@H](CS)CCCCOc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
LTA4H P09960 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
ANPEP P15144 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL5679065 1.00 KCNA3 (0.57) KCNA3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5680821 0.98 KCNA3 (0.55) KCNA3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5682809 0.98 KCNA3 (0.55) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5679466 0.98 HDAC3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5680940 0.98 HDAC3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5680825 0.98 KCNA3 (0.55) KCNA3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5680751 0.98 HDAC3 (0.59) KCNA3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5680840 0.97 HDAC3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5680905 0.97 HDAC3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL5679049 0.97 HDAC3 (0.58) KCNA3HDAC3HDAC4HDAC1HDAC7

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