SCHEMBL8702152

SCHEMBL8702152

CCCC/C(=C\c1ccccc1)C(=O)O.CCCC/C(=C\c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
PTGES O14684 3/20 0.59
PPARG P37231 2/20 0.59
LMNA P02545 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CES2 O00748 3/20 0.51
CES1 P23141 3/20 0.51
APEX1 P27695 3/20 0.50
RECQL P46063 1/20 0.50
AKR1C3 P42330 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ELANE P08246 1/20 0.45

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
SCHEMBL524131 1.00 ALOX5 (0.59) ALOX5PTGESPPARGLMNATDP1
SCHEMBL1786246 1.00 ALOX5 (0.59) ALOX5PTGESPPARGLMNATDP1
SCHEMBL524132 1.00 ALOX5 (0.59) ALOX5PTGESPPARGLMNATDP1
SCHEMBL28271475 0.95 LMNA (0.66) ALOX5PTGESPPARGLMNATDP1
SCHEMBL17629136 0.95 LMNA (0.66) ALOX5PTGESPPARGLMNATDP1
SCHEMBL17629135 0.95 LMNA (0.66) ALOX5PTGESPPARGLMNATDP1
SCHEMBL489897 0.93 TDP1 (0.67) ALOX5PTGESPPARGLMNATDP1
SCHEMBL6437828 0.93 TDP1 (0.67) ALOX5PTGESPPARGLMNATDP1
SCHEMBL3250732 0.93 TDP1 (0.67) ALOX5PTGESPPARGLMNATDP1
SCHEMBL5467260 0.93 TDP1 (0.67) ALOX5PTGESPPARGLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998049128-A1 PROCESS FOR PREPARING A (HETERO)AROMATIC OLEFIN DSM N.V. (NL) 1998-11-05 WO disclosed