SCHEMBL28290013

SCHEMBL28290013

O=C(OC1CCCCC1)c1ccc2ccccc2c1.[SnH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
GABBR2 O75899 1/20 0.49
GABBR1 Q9UBS5 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HTT P42858 1/20 0.47
FAAH O00519 1/20 0.46
EPHX1 P07099 1/20 0.46
TSHR P16473 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL547393 0.92 STS (0.59) STSRAB9ANPC1MEN1KMT2A
SCHEMBL28022234 0.85 STS (0.52) STSRAB9ANPC1MEN1KMT2A
SCHEMBL11864448 0.84 SMN1; SMN2 (0.51) STSRAB9ANPC1MEN1KMT2A
SCHEMBL2018634 0.84 CES2 (0.46) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5697660 0.82 SLC6A4 (0.42) STSRAB9ANPC1MEN1KMT2A
SCHEMBL10306601 0.81 KMT2A (0.68) RAB9ANPC1MEN1KMT2ATSHR
SCHEMBL111296 0.80 MMP9 (0.55) STSRAB9ANPC1MEN1KMT2A
SCHEMBL110657 0.80 SMN1; SMN2 (0.68) STSRAB9ANPC1MEN1KMT2A
SCHEMBL26705237 0.80 CES2 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL24278810 0.79 CES2 (0.45) RAB9ANPC1SMN1; SMN2LMNAGABBR2

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-106188128-B A kind of Tricyclohexyltin 2- naphthoate complex and the preparation method and application thereof 衡阳师范学院 2019-04-30 CN disclosed