SCHEMBL9116946

SCHEMBL9116946

C=C(C)C(=O)NN(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA1 P00915 3/20 0.42
TSHR P16473 2/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
TGFBR1 P36897 1/20 0.33
KDM5A P29375 3/20 0.33
KDM4C Q9H3R0 2/20 0.33
CES1 P23141 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
FAAH O00519 1/20 0.32
CA2 P00918 2/20 0.31
CES2 O00748 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL28825757 0.89 CA12 (0.37) CA12CA9CA1TSHRTGFBR1
SCHEMBL2744545 0.85 TSHR (0.41) TSHRKDM5AKDM4CCES1THRA
Bromide SCHEMBL28446261 0.83 TSHR (0.40) TSHRKDM5AKDM4CTHRATHRB
SCHEMBL28049819 0.82 TGFBR1 (0.32) CA12CA9TGFBR1CA2
SCHEMBL27580348 0.82 CA12 (0.41) CA12CA9CA1MMP1MMP2
SCHEMBL28029776 0.81 TSHR (0.33) CA12CA9CA1TSHRMMP1
SCHEMBL11649935 0.81 TGFBR1 (0.38) TGFBR1ALDH1A1
SCHEMBL27525063 0.80 KDM4E (0.37) TGFBR1ALDH1A1
SCHEMBL1777054 0.80 CA12 (0.46) CA12CA9CA1MMP1MMP2
SCHEMBL27575116 0.80 CA1 (0.39) CA12CA9CA1MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958591-A Rubber composition for tyre, and pneumatic tyre SUMITOMO RUBBER IND 2014-07-30 CN disclosed
CN-102863666-A Tire rubber composition and pneumatic tire SUMITOMO RUBBER IND 2013-01-09 CN disclosed
CN-1330678-C Method for preparing modified dienopolymer rubber SUMITOMO CHEMICAL CO (JP) 2007-08-08 CN disclosed
CN-1530379-A Method for preparing modified dienopolymer rubber 住友化学工业株式会社 2004-09-22 CN disclosed
US-5447818-A Developer solution containing polymer with pendant amine groups, high density transfer image FUJI PHOTO FILM CO, LTD. (JP) 1995-09-05 US disclosed