SCHEMBL11670841

SCHEMBL11670841

CCCCCCCC=CCCC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 2/20 0.56
EPHX2 P34913 1/20 0.54
ENPP2 Q13822 1/20 0.48
HTT P42858 1/20 0.44
FAAH O00519 3/20 0.43
TRPV1 Q8NER1 1/20 0.43
DNM1 Q05193 2/20 0.42
PPARA Q07869 2/20 0.41

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
SCHEMBL62048 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL61124 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL61326 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10975952 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10937740 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL61438 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL9691206 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL61271 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL60617 0.86 BBOX1 (0.68) BBOX1HTTDNM1
SCHEMBL10936179 0.86 BBOX1 (0.68) BBOX1HTTDNM1

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-4062647-A Clay-containing fabric softening detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1977-12-13 US disclosed
US-4051046-A ANTISTATIC AGENTS, SOFTENERS, WRINKLE RESISTANCE THE PROCTER & GAMBLE COMPANY (US) 1977-09-27 US disclosed
US-4006092-A PEROXY COMPOUND, ALDEHYDE OR KETONE, VINYL POLYMER, BUFFER THE PROCTER & GAMBLE COMPANY (US) 1977-02-01 US disclosed
US-4005029-A Laundering adjunct THE PROCTER & GAMBLE COMPANY (US) 1977-01-25 US disclosed