SCHEMBL12802459

SCHEMBL12802459

C=CC(=C)c1ccccc1CCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.38
THRA P10827 1/20 0.38
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
FOLH1 Q04609 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LIPG Q9Y5X9 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
HTR1A P08908 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL12802083 0.89 CYP3A4 (0.46) THRBTHRACYP3A4CYP2D6CYP2C9
SCHEMBL536538 0.85 GABRA1 (0.40) THRBTHRAMAPTCYP3A4ALDH1A1
SCHEMBL10957114 0.82 ALDH1A1 (0.42) FOLH1HCRTR1HCRTR2KDRALDH1A1
SCHEMBL14062854 0.79 FOLH1 (0.41) MAPTFOLH1HCRTR1HCRTR2KDR
SCHEMBL29590143 0.79 ALDH1A1 (0.40) FOLH1HCRTR1HCRTR2KDRALDH1A1
SCHEMBL712790 0.79 ALDH1A1 (0.40) FOLH1HCRTR1HCRTR2KDRALDH1A1
Acrylic Acid SCHEMBL5308916 0.77 FOLH1 (0.54) THRBTHRAMAPTCYP2C9FOLH1
SCHEMBL19291089 0.77 FOLH1 (0.36) CYP3A4CYP2D6CYP2C9FOLH1HCRTR1
SCHEMBL27892644 0.77 PNMT (0.39) MAPTCYP3A4ALDH1A1
SCHEMBL25607743 0.77 TSHR (0.37) FOLH1HCRTR1HCRTR2KDRALDH1A1

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
US-9587042-B2 Process for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, and polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-03-07 US disclosed
US-8933165-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-13 US disclosed
US-8835564-B2 Method for producing modified conjugated diene-based polymer, and method for producing polymer composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-09-16 US disclosed
US-20140088256-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20140088242-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, AND METHOD FOR PRODUCING POLYMER COMPOSITION ZEON CORPORATION (JP) 2014-03-27 US disclosed
US-20120252966-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, AND POLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED 2012-10-04 US disclosed