SCHEMBL15901489

SCHEMBL15901489

[Li]CC=CCC1CCCCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 2/20 0.43
KMT2A Q03164 2/20 0.43
HTR1A P08908 2/20 0.43
HTR2A P28223 2/20 0.43
KCNH2 Q12809 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL6800632 0.81 CYP2D6 (0.43) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL15901236 0.78 CYP2D6 (0.44) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL27961055 0.78 CYP2D6 (0.44) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL816943 0.77 FDPS (0.40) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL28589905 0.76 FDPS (0.42) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL27264900 0.76 CYP2D6 (0.42) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9112086 0.76 CYP2D6 (0.42) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL16767662 0.76 POLB (0.40) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL7059821 0.74 CYP2D6 (0.52) CYP2D6MEN1LMNATP53KMT2A
SCHEMBL9112198 0.72 CYP2D6 (0.38) CYP2D6MEN1LMNATP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085653-B2 Method for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, modified conjugated diene-based polymer composition, rubber composition and tire ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-07-21 US disclosed
EP-2754674-B1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER COMPOSITION, RUBBER COMPOSITION, AND TIRE ASAHI KASEI CHEMICALS CORP (JP) 2015-03-11 EP disclosed
US-20140213721-A1 Method for Producing Modified Conjugated Diene-Based Polymer, Modified Conjugated Diene-Based Polymer, Modified Conjugated Diene-Based Polymer Composition, Rubber Composition and Tire ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-07-31 US disclosed