SCHEMBL10707754

SCHEMBL10707754

[Li]C(C)=C(CCCC)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.67
ESR1 P03372 3/20 0.57
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
ESR2 Q92731 1/20 0.46

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
SCHEMBL9358580 0.86 PTGS2 (0.80) PTGS2ESR1CES2CES1ESR2
SCHEMBL9358575 0.86 PTGS2 (0.80) PTGS2ESR1CES2CES1ESR2
SCHEMBL1827643 0.82 PTGS2 (0.74) PTGS2ESR1CES2CES1ESR2
SCHEMBL4961440 0.80 PTGS2 (0.71) PTGS2ESR1CES2CES1ESR2
SCHEMBL28108412 0.80 PTGS2 (1.00) PTGS2ESR1ESR2
SCHEMBL11125618 0.78 PTGS2 (0.63) PTGS2ESR1CES2CES1
SCHEMBL3405445 0.78 PTGS2 (0.69) PTGS2ESR1CES2CES1ESR2
SCHEMBL3725995 0.78 PTGS2 (0.62) PTGS2ESR1CES2CES1
SCHEMBL3725992 0.78 PTGS2 (0.62) PTGS2ESR1CES2CES1
SCHEMBL8156308 0.78 PTGS2 (0.62) PTGS2ESR1CES2CES1

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
EP-0268705-A1 Polymeric surfactant AGFA-GEVAERT N.V. (BE) 1988-06-01 EP disclosed