SCHEMBL11528557

SCHEMBL11528557

CCCC(=O)OCC1=CC2C=CC1C2

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.41
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL11525401 0.92 NLRP3 (0.39) NLRP3
SCHEMBL11529143 0.89 NLRP3 (0.45) NLRP3ALDH1A1
SCHEMBL11527619 0.88 ALDH1A1 (0.33) ALDH1A1
SCHEMBL11529521 0.81 ALDH1A1 (0.37) NLRP3ALDH1A1
SCHEMBL11529368 0.76 NLRP3 (0.42) NLRP3ALDH1A1
SCHEMBL11526931 0.76 SMN1; SMN2 (0.35) ALDH1A1
SCHEMBL11529890 0.63 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9129929 0.62 ALDH1A1 (0.43) NLRP3ALDH1A1
SCHEMBL1536789 0.61
SCHEMBL1870004 0.60 ALDH1A1 (0.63) ALDH1A1

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
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 US disclosed