SCHEMBL8501296

SCHEMBL8501296

[CH2]CCCCCCCCCCCCCCCCCCCOc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.73
HDAC1 Q13547 3/20 0.63
HDAC2 Q92769 3/20 0.63
HDAC3 O15379 1/20 0.63
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52
LTA4H P09960 2/20 0.52
HTR1B P28222 1/20 0.50

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
SCHEMBL2168733 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8501351 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8499690 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8498812 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL94687 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8495999 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL5575867 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8496084 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL8498126 1.00 KCNA3 (0.73) KCNA3HDAC1HDAC2HDAC3HDAC4
SCHEMBL6238396 1.00 KCNA3 (0.73) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952316-A FOR TREATING AUTOIMMUNE DISEASES, E.G., RHEUMATIOD ARTHRITIS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-14 US disclosed
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5719176-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed