SCHEMBL9502131

SCHEMBL9502131

CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=S)NCCCOC)ccc1CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HDAC3 O15379 8/20 0.42
HDAC1 Q13547 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX12 P18054 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
MLYCD O95822 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL9502336 1.00 GAA (0.44) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9506113 0.94 SMN1; SMN2 (0.41) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9503835 0.93 SMN1; SMN2 (0.41) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9506074 0.91 HDAC3 (0.44) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9502449 0.91 HDAC3 (0.44) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9692496 0.91 HDAC3 (0.44) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9502757 0.89 ALDH1A1 (0.41) GAAL3MBTL1ALDH1A1HDAC3NPC1
SCHEMBL9502424 0.88 ACAT1 (0.41) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9502202 0.87 ACAT1 (0.41) GAATDP1L3MBTL1ALDH1A1HDAC3
SCHEMBL9502413 0.85 CETP (0.42) GAATDP1L3MBTL1ALDH1A1HDAC3

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