SCHEMBL9150708

SCHEMBL9150708

CCCCCCCC/C=C\CCCCCCCCC(C)N(O)O.CC[N+]([O-])(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 5/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FAAH O00519 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
TERT O14746 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL9189492 0.91 CA1 (0.37) LMNA
SCHEMBL8935007 0.89 FAAH (0.45) FFAR1FFAR4FAAHTRPV1TERT
SCHEMBL936695 0.89 FAAH (0.45) FFAR1FFAR4FAAHTRPV1TERT
SCHEMBL2058621 0.78 SPHK1 (0.46) FFAR1LMNAMAPT
SCHEMBL8073297 0.78 SPHK1 (0.46) FFAR1LMNAMAPT
SCHEMBL9397582 0.78 SPHK1 (0.46) FFAR1LMNAMAPT
SCHEMBL2058385 0.78 SPHK1 (0.46) FFAR1LMNAMAPT
SCHEMBL8647768 0.78 SPHK1 (0.46) FFAR1LMNAMAPT
SCHEMBL9397568 0.78 SPHK1 (0.46) FFAR1LMNAMAPT
SCHEMBL9397592 0.78 SPHK1 (0.46) FFAR1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5403579-A A mouthwashes consisting of a higher alkyl-N-sulfobetaine and a higher alkyl dimethylamine oxide, dihydroxyethylamine oxide or acylamide tert-amine oxide; antibacteria, antiplague, antistaining E. B. MICHAELS RESEARCH ASSOCIATES, INC. (US) 1995-04-04 US disclosed
EP-0294391-B1 PROCESS AND COMPOSITION FOR ORAL HYGIENE MICHAELS E B RES ASS (US) 1994-02-02 EP disclosed
US-5275804-A Amphoteric surfactants as bactericides or fungicides for mouth washes E. B. MICHAELS RESEARCH ASSOCIATES, INC. (US) 1994-01-04 US disclosed
US-4839158-A APPLYING MIXTURES OF HIGHER ALKYL N-BETAINE AND N,N-DIMETHYL AMINE OXIDE E. B. MICHAELS RESEARCH ASSOCIATES INC. (US) 1989-06-13 US disclosed