SCHEMBL11034500

SCHEMBL11034500

C=Cc1ccccc1C(C)NCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.38
SIGMAR1 Q99720 4/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
XBP1 P17861 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGFR P00533 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
FYN P06241 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 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
SCHEMBL9779275 1.00 NAAA (0.38) NAAASIGMAR1LMNAMEN1XBP1
SCHEMBL11032815 1.00 NAAA (0.38) NAAASIGMAR1LMNAMEN1XBP1
SCHEMBL11034236 1.00 NAAA (0.38) NAAASIGMAR1LMNAMEN1XBP1
SCHEMBL11031723 0.98 NAAA (0.35) NAAASIGMAR1LMNAMEN1XBP1
Ammonia Solution, Strong SCHEMBL11031806 0.97 NAAA (0.35) NAAASIGMAR1LMNAMEN1XBP1
SCHEMBL11045805 0.94 POLB (0.38) SIGMAR1LMNAMEN1KMT2ANPSR1
SCHEMBL8368617 0.88 SIGMAR1 (0.41) SIGMAR1LMNAMEN1KMT2ANPSR1
SCHEMBL10629895 0.81 SIGMAR1 (0.38) SIGMAR1LMNAALDH1A1CYP1A2CHRM2
SCHEMBL10628471 0.81 NAAA (0.35) NAAASIGMAR1LMNAMEN1XBP1
SCHEMBL10628521 0.81 NAAA (0.35) NAAASIGMAR1LMNAMEN1XBP1

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-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP claimed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US claimed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP claimed
EP-0052330-B1 NOVEL RESIN COMPOSITION, COATING MATERIAL COMPRISING SAID RESIN COMPOSITION AND METHOD FOR FORMING COATINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-09-05 EP disclosed
US-4447580-A POLYMER CONSISTING OF UNSATD AROMATIC AMINE AND UNSATURATED COMPOUND WITH ELECTRON ATTRACTIVE GROUP ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-05-08 US disclosed
EP-0052330-A1 Novel resin composition, coating material comprising said resin composition and method for forming coatings Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP disclosed