SCHEMBL9692890

SCHEMBL9692890

CCCCCCCOCCCOCCCC(=O)Nc1cc(C(=S)NCCCC)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
ACAT1 P24752 1/20 0.41
POLB P06746 3/20 0.40
HDAC3 O15379 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SELL P14151 1/20 0.40
SELP P16109 1/20 0.40
SELE P16581 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL9502457 0.99 SMN1; SMN2 (0.42) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9505690 0.93 L3MBTL1 (0.41) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9502293 0.92 POLB (0.40) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9502202 0.90 ACAT1 (0.41) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9502424 0.89 ACAT1 (0.41) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9692436 0.84 SMN1; SMN2 (0.39) SMN1; SMN2HPGDL3MBTL1GAATSHR
SCHEMBL9503835 0.84 SMN1; SMN2 (0.41) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9506113 0.83 SMN1; SMN2 (0.41) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9506112 0.83 ACAT1 (0.39) SMN1; SMN2HPGDL3MBTL1GAATDP1
SCHEMBL9692556 0.82 HDAC3 (0.43) SMN1; SMN2HPGDL3MBTL1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed