SCHEMBL16033748

SCHEMBL16033748

C=Cc1ccc(C(N)(CCCC)CCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
TNNC1 P63316 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 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
SCHEMBL16033401 0.89 ALDH1A1 (0.42) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL6516787 0.81 ALDH1A1 (0.46) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL16034166 0.80 TP53 (0.41) ALDH1A1ESR1ESR2CHRNB2CHRNB4
SCHEMBL1512714 0.80 ALDH1A1 (0.41) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL4895391 0.77 ESR1 (0.41) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL11433609 0.77 ALDH1A1 (0.38) ALDH1A1ESR1ESR2TAS1R3TAS1R1
SCHEMBL4272314 0.75 CNR2 (0.51)
SCHEMBL1261574 0.75 KIF11 (0.44) ALDH1A1ESR1ESR2TSHR
SCHEMBL3444804 0.74 ALDH1A1 (0.52) ALDH1A1TAS1R3TAS1R1CHRNB2CHRNB4
Heptane SCHEMBL11256407 0.74 ALDH1A1 (0.58) ALDH1A1TAS1R3TAS1R1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001491-B Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2018-07-06 CN disclosed
CN-107001491-A Modified conjugated diene polymer and the polymer composition containing the polymer 住友化学株式会社 2017-08-01 CN disclosed
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-20150011698-A1 METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING CONJUGATED DIENE-BASED POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-08 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