SCHEMBL27735929

SCHEMBL27735929

CCCCCCCCCCCCCC[N+](C)(CCO)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 3/20 0.50
CETP P11597 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
KCNH2 Q12809 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ESR1 P03372 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
ADRB2 P07550 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRB1 P08588 1/20 0.41

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
Hydrochloric Acid SCHEMBL28812558 0.90 MEN1 (0.62) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL28842971 0.90 MEN1 (0.62) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL8871547 0.86 DNM1 (0.63) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL4307685 0.86 DNM1 (0.63) DNM1MEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL11775268 0.85 TDP1 (0.48) MAPK1SMN1; SMN2SIGMAR1TDP1MAOA
Hydrochloric Acid SCHEMBL18139148 0.84 MEN1 (0.64) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL18140552 0.84 DNM1 (0.64) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Bromide SCHEMBL18141522 0.84 DNM1 (0.64) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL18139335 0.84 MEN1 (0.64) DNM1MEN1KMT2AMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL18141465 0.84 MEN1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101258231-B Fabric conditioning composition UNILEVER NV 2011-09-28 CN disclosed
CN-101258231-A Fabric conditioning composition UNILEVER PLC (NL) 2008-09-03 CN disclosed