SCHEMBL9502223

SCHEMBL9502223

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.43
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SOAT1 P35610 2/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
EP300 Q09472 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL9503044 1.00 CETP (0.43) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9692530 0.95 CETP (0.42) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9502962 0.95 CETP (0.42) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9502413 0.95 CETP (0.42) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9502449 0.90 HDAC3 (0.44) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9506074 0.90 HDAC3 (0.44) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9692496 0.90 HDAC3 (0.44) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9502976 0.89 HDAC3 (0.44) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9502162 0.89 HDAC3 (0.44) CETPGAATDP1L3MBTL1SOAT1
SCHEMBL9506112 0.86 ACAT1 (0.39) CETPGAATDP1L3MBTL1HDAC3

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