SCHEMBL6554100

SCHEMBL6554100

CC(=O)Oc1ccccc1Sc1ccc(CCN(Cc2ccccc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC2 Q92769 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC6 Q9UBN7 1/20 0.41
LPAR1 Q92633 5/20 0.40
LPAR5 Q9H1C0 5/20 0.40
SLC6A9 P48067 5/20 0.40
RCE1 Q9Y256 1/20 0.38

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
SCHEMBL6554097 0.90 HDAC1 (0.41) PTGS2HDAC1HDAC3HDAC2NCOR2
SCHEMBL6540218 0.87 SLC6A9 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6539902 0.83 HDAC1 (0.49) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6810353 0.82 HDAC1 (0.46) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6541405 0.81 LPAR1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL9823156 0.81 HDAC1 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6802456 0.80 LPAR1 (0.47) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL6540935 0.80 LPAR1 (0.48) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL1798901 0.78 HDAC1 (0.52) HDAC1HDAC3HDAC2NCOR2HDAC6
SCHEMBL3695642 0.78 HDAC1 (0.55) HDAC1HDAC3HDAC2NCOR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed