SCHEMBL7714820

SCHEMBL7714820

CCCC(=CCCC(=O)OCC)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
AKT1 P31749 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
TOP2A P11388 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 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
SCHEMBL14578224 0.83 TBXAS1 (0.64) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7714709 0.82 TBXAS1 (0.50) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7714707 0.82 TBXAS1 (0.50) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL31520407 0.81 CES2 (0.47) TBXAS1SMN1; SMN2AKT1CES2CES1
SCHEMBL11309145 0.81 SMN1; SMN2 (0.49) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11309141 0.81 SMN1; SMN2 (0.49) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL18801487 0.79 CYP1A2 (0.47) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9068456 0.79 CYP1A2 (0.47) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7714815 0.78 TBXAS1 (0.47) TBXAS1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16728116 0.77 MAPT (0.51) MEN1KMT2AMAPTCES2CES1

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
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed