SCHEMBL7708924

SCHEMBL7708924

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
TBXAS1 P24557 2/20 0.40
HTT P42858 1/20 0.40
TOP2A P11388 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
SCHEMBL29029672 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL27496358 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL7714551 0.81 PGR (0.46) KMT2ANPC1PGRADRA2AADRA2B
SCHEMBL12091718 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL9258457 0.79 LMNA (0.50) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL7708927 0.79 NPC1 (0.48) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL29029675 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL12475541 0.79 PGR (0.51) SMN1; SMN2KMT2ANPC1PGRADRA2A
SCHEMBL10714845 0.79 SMN1; SMN2 (0.42) SMN1; SMN2MEN1KMT2ANPC1CYP4F2
SCHEMBL28573269 0.78 KMT2A (0.44) SMN1; SMN2MEN1KMT2ANPC1CYP4F2

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