SCHEMBL8944007

SCHEMBL8944007

c1ccc(N(c2ccccc2)c2ccc(OCCCCOc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
LTA4H P09960 2/20 0.55
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
LSS P48449 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL8943680 0.98 KCNA3 (0.60) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL8943908 0.98 KCNA3 (0.60) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL8944286 0.98 KCNA3 (0.60) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL8944087 0.98 KCNA3 (0.60) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL8943810 0.96 KCNA3 (0.56) KCNA3LTA4HHDAC3HDAC4HDAC1
SCHEMBL8944027 0.93 KCNA3 (0.52) KCNA3LTA4HLSSALDH1A1KDM4E
SCHEMBL8321594 0.92 LTA4H (0.68) KCNA3LTA4HALDH1A1CYP3A4DRD2
SCHEMBL8943696 0.92 LTA4H (0.66) KCNA3LTA4HLSSALDH1A1CYP1A2
SCHEMBL8943730 0.92 LTA4H (0.66) KCNA3LTA4HLSSALDH1A1CYP1A2
SCHEMBL31258518 0.92 LTA4H (0.66) KCNA3LTA4HLSSALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed