SCHEMBL9493496

SCHEMBL9493496

CCCCCOC1(OCC)C=CC(c2ccc(-c3ccc(-c4ccccc4)cc3)c(F)c2F)=CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.31
NR5A1 Q13285 1/20 0.31
PTPN1 P18031 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
SCHEMBL9493920 0.99 SOAT1 (0.33) SOAT1NR5A1
SCHEMBL9494770 0.99 SOAT1 (0.33) SOAT1NR5A1
SCHEMBL9493416 0.99 SOAT1 (0.33) SOAT1NR5A1
SCHEMBL9497718 0.99 SOAT1 (0.33) SOAT1NR5A1
SCHEMBL9496783 0.99 SOAT1 (0.33) SOAT1NR5A1
SCHEMBL9492774 0.97 CDC7 (0.30)
SCHEMBL9494845 0.96 SOAT1 (0.34) SOAT1NR5A1PTPN1
SCHEMBL9493634 0.96 SOAT1 (0.34) SOAT1NR5A1PTPN1
SCHEMBL9493922 0.96 SOAT1 (0.34) SOAT1NR5A1PTPN1
SCHEMBL9494593 0.96 SOAT1 (0.34) SOAT1NR5A1PTPN1

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
EP-0329752-B1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1993-03-17 EP disclosed
EP-0329752-A1 FLUORINATED OLIGOPHENYLS AND THEIR USE IN LIQUID CRYSTAL MATERIALS MERCK PATENT GmbH (DE) 1989-08-30 EP disclosed