SCHEMBL3870702

SCHEMBL3870702

CCCCOC(=O)NC(C)(C(=O)O)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
LMNA P02545 2/20 0.41
CTSK P43235 2/20 0.40
GLS O94925 1/20 0.40
HPGD P15428 2/20 0.39
NFKB1 P19838 1/20 0.39
STAT1 P42224 1/20 0.39
NFKB2 Q00653 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
SCHEMBL3004859 0.79 MEN1 (0.47) POLBGAARAB9ANPC1LMNA
SCHEMBL3658399 0.75 ITGB3 (0.53) POLBGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL290981 0.73 TDP1 (0.50) POLBGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2014294 0.72 POLB (0.42) POLBGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL2364749 0.72 POLB (0.46) POLBSMN1; SMN2CYP1A2CYP2C19TDP1
Water SCHEMBL2946569 0.72 TDP1 (0.49) POLBGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL21059262 0.72 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C19TDP1TSHR
SCHEMBL10440896 0.71 POLB (0.48) POLBGAASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5420579 0.71 POLB (0.51) POLBSMN1; SMN2CYP1A2CYP2C19TDP1
SCHEMBL31392231 0.71 POLB (0.51) POLBGAASMN1; SMN2CYP1A2CYP2C19

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-2064177-A2 PROTEASE INHIBITORS Ambrilia Biopharma Inc. (CA) 2009-06-03 EP disclosed
WO-2008078200-A2 PROTEASE INHIBITORS AMBRILIA BIOPHARMA INC. (CA) 2008-07-03 WO disclosed