SCHEMBL19873339

SCHEMBL19873339

C=Cc1ccc(C[N+](C)(C)C)cc1.C=Cc1ccc(C[N+](CCCC)(CCCC)CCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.39
▸ CHRNB4 P30926 2/20 0.39
▸ CHRNA3 P32297 2/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ PSMD14 O00487 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ DNM1 Q05193 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL1629035 0.94 CHRNA7 (0.42) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2791842 0.92 CHRNA7 (0.41) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL26460127 0.89 PSMD14 (0.43) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL26460073 0.89 CHRNA7 (0.49) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL18256109 0.89 PSMD14 (0.41) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL788817 0.88 CHRNA7 (0.39) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL18256178 0.87 PSMD14 (0.44) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL26460075 0.87 CHRNA7 (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL25369277 0.86 PSMD14 (0.46) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28644851 0.86 PSMD14 (0.46) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4

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-10850485-B2 Polyester resin composition and production method thereof TORAY INDUSTRIES, INC. (JP) 2020-12-01 — — US disclosed
EP-3284786-B1 POLYESTER RESIN COMPOSITION AND METHOD OF MANUFACTURING SAME TORAY INDUSTRIES (JP) 2020-09-23 — — EP disclosed
US-20180126714-A1 POLYESTER RESIN COMPOSITION AND PRODUCTION METHOD THEREOF TORAY INDUSTRIES, INC. (JP) 2018-05-10 — — US disclosed
EP-3284786-A1 POLYESTER RESIN COMPOSITION AND METHOD OF MANUFACTURING SAME Toray Industries, Inc. (JP) 2018-02-21 — — EP disclosed
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