SCHEMBL8016901

SCHEMBL8016901

CCCCCCCCCCCCCCCCCCC(C)[N+]([O-])(O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
SPHK1 Q9NYA1 1/20 0.43
LMNA P02545 1/20 0.43
OPRM1 P35372 1/20 0.41
CA2 P00918 1/20 0.41
ACE2 Q9BYF1 1/20 0.39
LSS P48449 1/20 0.39
GPR84 Q9NQS5 3/20 0.39
FDPS P14324 3/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 1/20 0.38
PPARD Q03181 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38

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
SCHEMBL8986353 1.00 CA1 (0.43) CA1SPHK1LMNAOPRM1CA2
SCHEMBL11427619 1.00 CA1 (0.43) CA1SPHK1LMNAOPRM1CA2
SCHEMBL4411679 1.00 CA1 (0.43) CA1SPHK1LMNAOPRM1CA2
SCHEMBL11415070 1.00 CA1 (0.43) CA1SPHK1LMNAOPRM1CA2
SCHEMBL4409622 0.89 FABP3 (0.44) LMNAFFAR1MAPT
SCHEMBL27075162 0.81 OPRM1 (0.44) CA1SPHK1LMNAOPRM1CA2
SCHEMBL27075188 0.81 OPRM1 (0.44) CA1SPHK1LMNAOPRM1CA2
SCHEMBL9575716 0.81 SPHK1 (0.52) CA1SPHK1LMNAOPRM1ACE2
SCHEMBL27075167 0.81 OPRM1 (0.44) CA1SPHK1LMNAOPRM1CA2
SCHEMBL9575908 0.81 SPHK1 (0.52) CA1SPHK1LMNAOPRM1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183952-A Antimicrobial compositions BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1980-01-15 US claimed
US-4145436-A ALKYL-IMIDAZOLIUM BETAINE AND AN N,N-DISUBSTITUTED ALKYL AMINE OXIDE BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1979-03-20 US claimed
US-4107328-A BETAINES, AMINE OXIDES, PROTONATING AGENT BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1978-08-15 US claimed
US-6099594-A THAT WERE FINISHED WITH MINERAL OIL OR SILICONE OIL FINISHES, USING AQUEOUS LIQUID OF: ANIONIC AND AMPHOTERIC SURFACTANTS; ACID DYES, METAL COMPLEX DYES, AND/OR DISPERSE DYES; OPTIONALLY SOLVENTS AND SURFACTANTS; GIVEN LIQUID:FIBER RATIO BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-6096097-A PRETREATING WITH BLEACH STABILIZER, SURFACTANT(S), AND DISPERSANT; BASIFICATION, ADDING PEROXY COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2000-08-01 US disclosed
US-4183952-A Antimicrobial compositions BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1980-01-15 US disclosed
US-4145436-A ALKYL-IMIDAZOLIUM BETAINE AND AN N,N-DISUBSTITUTED ALKYL AMINE OXIDE BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1979-03-20 US disclosed
US-4107328-A BETAINES, AMINE OXIDES, PROTONATING AGENT BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1978-08-15 US disclosed
US-4075350-A ACYL-N-BETAINE BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1978-02-21 US disclosed
US-4062976-A Antimicrobial compositions employing certain substituted alanines and certain t-amine oxides BIOSYN, INC. (A PENNSYLVANIA CORPORATION) 1977-12-13 US disclosed