SCHEMBL9495388

SCHEMBL9495388

CCCCCCCOC1(OCCCC)C=CC(c2ccc(-c3ccc(-c4ccccc4)cc3)c(F)c2F)=CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.34
NR5A1 Q13285 2/20 0.33
NR5A2 O00482 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN11 Q06124 4/20 0.32
RARB P10826 3/20 0.32
PTPN1 P18031 2/20 0.31
PDK2 Q15119 1/20 0.31
LTA4H P09960 1/20 0.30
CDC7 O00311 1/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
CHUK O15111 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
SCHEMBL9494593 0.99 SOAT1 (0.34) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9494845 0.99 SOAT1 (0.34) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9493634 0.99 SOAT1 (0.34) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9495244 0.99 SOAT1 (0.34) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9493907 0.99 SOAT1 (0.34) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9493922 0.99 SOAT1 (0.34) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9494226 0.97 SOAT1 (0.33) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9493416 0.96 SOAT1 (0.33) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9493920 0.96 SOAT1 (0.33) SOAT1NR5A1NR5A2CYP2C9CYP2C19
SCHEMBL9497718 0.96 SOAT1 (0.33) SOAT1NR5A1NR5A2CYP2C9CYP2C19

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