SCHEMBL9575956

SCHEMBL9575956

CCCCCCCCCCCCC(C)[N+](C)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.45
LMNA P02545 1/20 0.44
OPRM1 P35372 1/20 0.42
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
FDPS P14324 3/20 0.40
PSMD14 O00487 2/20 0.40
PLA2G1B P04054 2/20 0.40
MMP2 P08253 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
CA1 P00915 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
FFAR1 O14842 1/20 0.40
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
LCK P06239 1/20 0.39
PPARD Q03181 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39

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
Bromide SCHEMBL9575764 0.98 SPHK1 (0.43) SPHK1LMNAOPRM1ACE2GPR84
Hydrochloric Acid SCHEMBL10663599 0.98 SPHK1 (0.43) SPHK1LMNAOPRM1ACE2GPR84
Hydrochloric Acid SCHEMBL9575630 0.98 SPHK1 (0.43) SPHK1LMNAOPRM1ACE2GPR84
Hydrochloric Acid SCHEMBL11330087 0.98 SPHK1 (0.43) SPHK1LMNAOPRM1ACE2GPR84
Perchlorate SCHEMBL8199369 0.92 LMNA (0.43) SPHK1LMNAOPRM1ACE2PSMD14
SCHEMBL9575939 0.88 FAAH (0.44) LMNAMMP2FFAR1MAPTTP53
Hydrochloric Acid SCHEMBL9575650 0.87 FAAH (0.42) LMNAMMP2FFAR1MAPTTP53
SCHEMBL238534 0.86 SPHK1 (0.45) SPHK1LMNAOPRM1ACE2GPR84
SCHEMBL239716 0.86 SPHK1 (0.45) SPHK1LMNAOPRM1ACE2GPR84
SCHEMBL1838532 0.86 SPHK1 (0.45) SPHK1LMNAOPRM1ACE2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371406-B1 OXYALKYLATED QUATERNARY AMMONIUM COMPOUNDS, PROCESSES FOR PRODUCTION THEREOF, AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING SAID COMPOUNDS DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1993-08-04 EP disclosed
US-5076828-A Immersing seeds into quaternary solution prior to planting DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1991-12-31 US disclosed
EP-0371406-A1 Oxyalkylated quaternary ammonium compounds, processes for production thereof, and plant growth regulating compositions containing said compounds DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 1990-06-06 EP disclosed