SCHEMBL8733381

SCHEMBL8733381

CCCCOC(=O)NC(S)(CC(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
RAB9A P51151 8/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
NPC1 O15118 7/20 0.43
LMNA P02545 2/20 0.43
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 3/20 0.41
CYP3A4 P08684 2/20 0.41
HPGD P15428 3/20 0.40
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
GAA P10253 1/20 0.38
HIF1A Q16665 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
SCHEMBL6249255 0.82 POLB (0.48) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL29897721 0.75 POLB (0.49) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL10440896 0.74 POLB (0.48) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11338599 0.73 NPC1 (0.54) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL9391326 0.73 POLB (0.47) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7397655 0.70 ACHE (0.47) POLBALDH1A1
SCHEMBL6865447 0.69 HDAC3 (0.49) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL11525723 0.69 ACHE (0.46) POLBRAB9AALDH1A1
SCHEMBL31392231 0.68 POLB (0.51) POLBRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL290981 0.68 TDP1 (0.50) POLBRAB9ASMN1; SMN2NPC1LMNA

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-0836383-A1 COMBINATIONS OF INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-04-22 EP disclosed
EP-0703905-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-04-03 EP disclosed