SCHEMBL1990517

SCHEMBL1990517

[O]C1([O])CC=CC=C1c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CFTR P13569 1/20 0.30
GOPC Q9HD26 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
SCHEMBL28907714 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL26980729 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4659760 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3992253 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL6984233 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5458204 0.76 CHRNA7 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL734441 0.76 PNMT (0.32) ALDH1A1
SCHEMBL3728491 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL505430 0.76 AKR1C1 (0.35) SMN1; SMN2
SCHEMBL28322405 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011074688-A1 PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 WO disclosed
US-6229052-B1 UTILIZING SUPPORTED DIOLS AND CHELATING BIS(PHOSPHORUS) LIGANDS COVALENTLY BONDED TO A SUPPORT (CROSSLINKED POLYSTYRENE RESIN) E. I. DU PONT DE NEMOURS AND COMPANY 2001-05-08 US disclosed