SCHEMBL16612898

SCHEMBL16612898

C=Cc1ccc([N+]2(C)CCCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4624512 0.80 CYP2A6 (0.41) ALDH1A1
SCHEMBL4626949 0.78 CYP2A6 (0.43) ALDH1A1
SCHEMBL5944497 0.74 POLB (0.42) ALDH1A1TSHRTDP1
SCHEMBL6848401 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL17853865 0.72 CHRNB2 (0.57) ALDH1A1
SCHEMBL5944513 0.72 APOBEC3A (0.40) ALDH1A1
Styrene SCHEMBL28870313 0.71 ALDH1A1 (0.54) ALDH1A1TSHRHDAC8TDP1
SCHEMBL16612765 0.71
Hydrochloric Acid SCHEMBL30070918 0.71 CHRNB2 (0.56) ALDH1A1
SCHEMBL9417714 0.70 LMNA (0.38) ALDH1A1

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
EP-2857446-B1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER IND (JP) 2018-03-07 EP disclosed
US-9790359-B2 Tread rubber composition and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2017-10-17 US disclosed
US-20150099823-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2015-04-09 US disclosed
EP-2857446-A1 TREAD RUBBER COMPOSITION AND PNEUMATIC TIRE Sumitomo Rubber Industries, Ltd. (JP) 2015-04-08 EP disclosed