SCHEMBL9493597

SCHEMBL9493597

CCCCCCOC1(OCCCCC)C=CC(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)=C(F)C1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 3/20 0.36
NR5A2 O00482 2/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
SOAT1 P35610 1/20 0.33
RARB P10826 3/20 0.33
PPARG P37231 3/20 0.32
PTPN1 P18031 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL9493523 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9493591 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9494390 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9494265 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9495363 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9494288 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9497273 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9494650 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9495307 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1
SCHEMBL9493806 1.00 NR5A1 (0.36) NR5A1NR5A2CYP2C9CYP2C19MEN1

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