SCHEMBL27417853

SCHEMBL27417853

CCCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.73
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
MAPK1 P28482 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
TP53 P04637 1/20 0.71
HTT P42858 3/20 0.69
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
PSMD14 O00487 1/20 0.49
HSP90AA1 P07900 1/20 0.49
MMP2 P08253 1/20 0.49
MC4R P32245 1/20 0.49
RAD52 P43351 1/20 0.49
KCNH2 Q12809 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL15889889 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL610827 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15889891 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL443763 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL15889890 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL332578 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL1091522 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2741404 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4448221 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9003680 1.00 DNM1 (0.73) DNM1MEN1KMT2AMAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300549-B Water-in-oil-type emulsion sunscreen cosmetic SHISEIDO CO LTD 2014-08-20 CN disclosed
CN-102300549-A Water-in-oil-type emulsion sunscreen cosmetic 2011-12-28 CN disclosed
CN-1113940-C Aqueous dispersion of polymer composition SANYO CHEMICAL IND LTD (JP) 2003-07-09 CN disclosed
CN-1131959-A Aqueous dispersion of polymer composition SANYO CHEMICAL IND LTD (JP) 1996-09-25 CN disclosed