SCHEMBL7585200

SCHEMBL7585200

CCCCCCCCCCCC1=[N+](CCO)CCN1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 2/20 0.33
EEF2K O00418 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CCR5 P51681 2/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30

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 SCHEMBL11253281 0.86 EEF2K (0.37) CA1CA2SPHK1SPHK2EEF2K
SCHEMBL4626358 0.82 LMNA (0.41) LMNATSHR
SCHEMBL141305 0.80 MGLL (0.35) EEF2K
Hydrochloric Acid SCHEMBL23142695 0.79 MGLL (0.34) EEF2KCCR5
SCHEMBL9314254 0.79 MGLL (0.34) EEF2K
Hydrochloric Acid SCHEMBL142027 0.79 MGLL (0.34) EEF2KCCR5
SCHEMBL7591943 0.77 EEF2K (0.43) CA1CA2EEF2KLMNAMEN1
SCHEMBL16887396 0.76 EEF2K (0.39) CA1CA2SPHK1SPHK2EEF2K
SCHEMBL16887393 0.76 EEF2K (0.39) CA1CA2SPHK1SPHK2EEF2K
SCHEMBL2267102 0.75 KCNH2 (0.35) SPHK1SPHK2EEF2KALDH1A1HSD17B10

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
EP-1242670-A1 WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION 3M Innovative Properties Company (US) 2002-09-25 EP disclosed
WO-2001049925-A1 WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-07-12 WO disclosed