SCHEMBL7714709

SCHEMBL7714709

CCOC(=O)CCC=C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MAPT P10636 2/20 0.43
AKT1 P31749 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BTN3A1 O00481 2/20 0.42
TOP2A P11388 1/20 0.42

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
SCHEMBL7714707 1.00 TBXAS1 (0.50) TBXAS1SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL2242761 0.88 TRPV1 (0.49) TBXAS1SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL2242758 0.88 TRPV1 (0.49) TBXAS1SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL14578224 0.86 TBXAS1 (0.64) TBXAS1SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL28715373 0.84 MEN1 (0.47) TBXAS1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL28719331 0.84 MEN1 (0.47) TBXAS1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL27820228 0.82 CYP4F2 (0.43) TBXAS1CYP4F2CYP4A11TRPV1
SCHEMBL7714820 0.82 TBXAS1 (0.48) TBXAS1SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL7714815 0.81 TBXAS1 (0.47) TBXAS1SMN1; SMN2CYP4F2CYP4A11MEN1
SCHEMBL11808129 0.80 TBXAS1 (0.48) TBXAS1L3MBTL1MAPTAKT1ALDH1A1

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