SCHEMBL9502449

SCHEMBL9502449

CCCCCCCCCCCCCCCC(=O)Nc1cc(C(=S)NCCCC)ccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.44
CETP P11597 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SOAT1 P35610 2/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
POLB P06746 1/20 0.43
EP300 Q09472 1/20 0.43
HTT P42858 2/20 0.42
ALOX15 P16050 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
SCHEMBL9692496 1.00 HDAC3 (0.44) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9506074 1.00 HDAC3 (0.44) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9502336 0.91 GAA (0.44) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9502962 0.91 CETP (0.42) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9502131 0.91 GAA (0.44) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9692530 0.91 CETP (0.42) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9502424 0.91 ACAT1 (0.41) HDAC3GAATDP1L3MBTL1POLB
SCHEMBL9502413 0.91 CETP (0.42) HDAC3CETPGAATDP1L3MBTL1
SCHEMBL9502202 0.90 ACAT1 (0.41) HDAC3GAATDP1L3MBTL1POLB
SCHEMBL9503044 0.90 CETP (0.43) HDAC3CETPGAATDP1L3MBTL1

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed