SCHEMBL4624410

SCHEMBL4624410

CCCCCCCCCCCCN1CC[N+](CCO)=C1CC.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.39
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL4626358 0.84 LMNA (0.41) LMNACYP2D6CYP2C9TSHRCYP2C19
SCHEMBL7591943 0.83 EEF2K (0.43) EEF2KLMNATSHRHTT
SCHEMBL11780787 0.81 EEF2K (0.43) EEF2KLMNACYP2D6CYP2C9TSHR
SCHEMBL9814357 0.79 KCNH2 (0.41) LMNACYP2D6CYP2C9TSHRCYP2C19
SCHEMBL9814361 0.79 KCNH2 (0.41) LMNACYP2D6CYP2C9TSHRCYP2C19
SCHEMBL11780449 0.77 EEF2K (0.44) EEF2KLMNACYP2D6CYP2C9TSHR
Hydrochloric Acid SCHEMBL11253281 0.70 EEF2K (0.37) EEF2KLMNATSHR
Butyl Alcohol SCHEMBL22639012 0.68 ALDH1A1 (0.45) LMNACYP2D6CYP2C9TSHRCYP2C19
Butyl Alcohol SCHEMBL359237 0.68 ALDH1A1 (0.45) LMNACYP2D6CYP2C9TSHRCYP2C19
Sulfuric Acid SCHEMBL4376501 0.68 EPHX2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242670-B1 WATER- AND OIL-REPELLENT, ANTISTATIC COMPOSITION 3M INNOVATIVE PROPERTIES CO (US) 2008-05-21 EP disclosed
US-7361706-B2 Water- and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-04-22 US disclosed
US-6784237-B2 Water-and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167265-A1 nonpolymeric ionic salt of monovalent metal cation, divalent metal cation, or organic onium cation (for example, a quaternary ammonium ion) and at least one weakly coordinating anion with fluorochemical repellent, and thermoplastic resin 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-20030211320-A1 Water-and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY 2003-11-13 US disclosed
US-6592988-B1 Water-and oil-repellent, antistatic composition 3M INNOVATIVE PROPERTIES COMPANY 2003-07-15 US disclosed