SCHEMBL27463558

SCHEMBL27463558

CCCCCCC1=C(C)CC=C1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
ALOX5 P09917 17/20 0.36
MPEG1 Q2M385 7/20 0.35
XIAP P98170 2/20 0.35
GPR84 Q9NQS5 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
PTGES O14684 1/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL15533729 0.92 BCHE (0.35) ALOX5HPGDMAPK1ACHE
SCHEMBL15533730 0.92 BCHE (0.35) ALOX5HPGDMAPK1ACHE
SCHEMBL5343702 0.82 SCD (0.38) ALDH1A1MAPTTDP1THRBALOX5
Hydrochloric Acid SCHEMBL28808118 0.79 PTGS2 (0.35) ALDH1A1MAPTTDP1THRBALOX5
Hydrochloric Acid SCHEMBL28808116 0.79 ALOX5 (0.33) ALDH1A1MAPTTDP1THRBALOX5
Hydrochloric Acid SCHEMBL8082447 0.78 ALOX5 (0.33) ALDH1A1MAPTTDP1THRBALOX5
Hydrochloric Acid SCHEMBL6628680 0.78 ALOX5 (0.33) ALDH1A1MAPTTDP1THRBALOX5
SCHEMBL6913282 0.73 BCHE (0.34) HPGDMAPK1ACHE
SCHEMBL6913287 0.73 ALOX5 (0.32) ALOX5HPGDMAPK1
SCHEMBL8951817 0.73 LMNA (0.34) ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1150229-C Valcanized rubber prepared from ethylene-/alpha-alkene/non-conjugated polynee tripoly rubber composition 三井化学株式会社 2004-05-19 CN disclosed
CN-1122077-C Ethylene/alpha-olefin/non-conjugated polyene trimeric rubber composition MITSUI CHEMICALS INC (JP) 2003-09-24 CN disclosed
CN-1314432-A Valcanized rubber prepared from ethylene-/alpha-alkene/non-conjugated polynee tripoly rubber composition MITSUI CHEMICAL INDUSSTRY CO L (JP) 2001-09-26 CN disclosed
CN-1148608-A Ethylene/alpha-olefin/nonconjugated polyene trimeric rubber composition and vulcanized rubber obtained therefrom MITSUI PETROCHEMICAL IND (JP) 1997-04-30 CN disclosed