SCHEMBL28753233

SCHEMBL28753233

CC1=CC(C)=C(c2ccc(Cl)cc2CCC(=O)CCc2cc(Cl)ccc2C2=C(C)C=C(C)C2)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.34
FFAR4 Q5NUL3 2/20 0.34
P2RX1 P51575 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
ZAP70 P43403 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
METAP1 P53582 1/20 0.31
SHMT1 P34896 1/20 0.31
SHMT2 P34897 1/20 0.31
PPARG P37231 1/20 0.31
S100A4 P26447 1/20 0.31
NOS2 P35228 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL27590873 0.81 FFAR1 (0.34) FFAR1FFAR4P2RX1TMPRSS4ZAP70
SCHEMBL27590952 0.80 FFAR1 (0.35) FFAR1FFAR4P2RX1TMPRSS4ZAP70
SCHEMBL27590972 0.77 FFAR1 (0.34) FFAR1FFAR4SHMT1SHMT2PPARG
SCHEMBL3214181 0.77 CA12 (0.39) P2RX1TMPRSS4METAP1S100A4NOS2
SCHEMBL3211693 0.77 CHRNA7 (0.38) P2RX1TMPRSS4NOS2POLBGAA
SCHEMBL27609378 0.75 FFAR1 (0.34) FFAR1FFAR4P2RX1TMPRSS4SHMT1
SCHEMBL27609405 0.74 SHMT1 (0.32) FFAR1FFAR4SHMT1SHMT2
SCHEMBL3201613 0.73 HTT (0.48) ALDH1A1TP53
SCHEMBL27591116 0.73 FFAR1 (0.31) FFAR1FFAR4
SCHEMBL27624251 0.73 NPSR1 (0.46) FFAR1POLBGAAALDH1A1TP53

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-1817837-B Carbonyl compound and method for preparing the same SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
CN-100357303-C Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2007-12-26 CN disclosed
CN-1817837-A Substituted cyclopentadiene and method for producing the same SUMITOMO CHEMICAL CO (JP) 2006-08-16 CN disclosed
CN-1578783-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer using the same SUMITOMO CHEMICAL CO (JP) 2005-02-09 CN disclosed