SCHEMBL16034166

SCHEMBL16034166

C=Cc1cccc(C(N)(CCCC)CCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFE2L2 Q16236 1/20 0.33
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KIF11 P52732 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL16033349 0.90 TP53 (0.43) TP53TDP1NFE2L2CHRNB2CHRNB4
SCHEMBL16033458 0.83 TP53 (0.46) TP53TDP1NFE2L2CHRNB2CHRNB4
SCHEMBL16033748 0.80 ALDH1A1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16032971 0.78 TP53 (0.50) TP53TDP1NFE2L2ALDH1A1TSHR
SCHEMBL11231507 0.77 TSHR (0.46) ALDH1A1TSHRKIF11
SCHEMBL16033815 0.77 TP53 (0.41) TP53TDP1NFE2L2ALDH1A1TSHR
SCHEMBL27897009 0.75 NFE2L2 (0.43) TP53TDP1NFE2L2CHRNB2CHRNB4
SCHEMBL1261574 0.74 KIF11 (0.44) ESR1ESR2ALDH1A1TSHRKIF11
SCHEMBL10908372 0.72 TP53 (0.41) TP53TDP1NFE2L2ALDH1A1TSHR
SCHEMBL16033874 0.72 HDAC3 (0.41) SCN5ASCN9AALDH1A1KIF11CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163105-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-20 US disclosed
US-9156969-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-13 US disclosed
US-9085652-B2 Method for producing conjugated diene-based polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-21 US disclosed
US-8946347-B2 Conjugated diene based polymer, and polymer composition containing the polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20140303319-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-09 US disclosed
US-20140296459-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-10-02 US disclosed
US-20140275404-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed
US-20140275402-A1 CONJUGATED DIENE BASED POLYMER, AND POLYMER COMPOSITION CONTAINING THE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-18 US disclosed