SCHEMBL8311664

SCHEMBL8311664

[CH2]C(O)CCCCCCCCCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.59
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ALDH1A1 P00352 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
LTA4H P09960 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
LMNA P02545 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
SCHEMBL749890 0.86 KCNA3 (0.54) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL17201876 0.81 KCNA3 (0.59) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9763097 0.80 KCNA3 (0.57) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL9011596 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL10904079 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL2512157 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL31229544 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL497029 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL28573982 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL28576557 0.79 KCNA3 (0.94) KCNA3HDAC1HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958373-A Polychelants as contrast enhancing agents NYCOMED SALUTAR INC. (US) 1999-09-28 US claimed
EP-0717737-B1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR INC (US) 1999-04-07 EP claimed
WO-1995007270-A1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR, INC. (US) 1995-03-16 WO claimed
US-5958373-A Polychelants as contrast enhancing agents NYCOMED SALUTAR INC. (US) 1999-09-28 US disclosed
EP-0717737-B1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR INC (US) 1999-04-07 EP disclosed
WO-1995007270-A1 CHELANTS AS CONTRAST ENHANCING AGENTS NYCOMED SALUTAR, INC. (US) 1995-03-16 WO disclosed