SCHEMBL28754609

SCHEMBL28754609

CCCC(=O)OCC(C(=O)CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 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
SCHEMBL1532583 0.80 TLR2 (0.44) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL1172092 0.80 TLR2 (0.44) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL28604790 0.80 LMNA (0.48) LMNASMN1; SMN2ALDH1A1MEN1NPC1
SCHEMBL2222143 0.78 KDM4E (0.48) LMNAHSD17B10GAAALDH1A1MEN1
Acetic Acid SCHEMBL28235752 0.77 TLR2 (0.43) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL1892710 0.77 SMN1; SMN2 (0.40) LMNAHSD17B10CES2CES1SMN1; SMN2
SCHEMBL28657375 0.76 GABBR2 (0.50) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL29149060 0.75 CYP1A2 (0.48) LMNAHSD17B10ALDH1A1POLBCYP1A2
SCHEMBL27769332 0.75 LMNA (0.43) LMNAHSD17B10GAASMN1; SMN2MEN1
SCHEMBL406383 0.75 CYP2D6 (0.47) SMN1; SMN2ALDH1A1MEN1NPC1POLB

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
CN-1610659-A Carboxylic acid derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2005-04-27 CN disclosed