SCHEMBL9484875

SCHEMBL9484875

CCCCCCCCOc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.52
PPARD Q03181 6/20 0.52
RARB P10826 4/20 0.48
RARA P10276 1/20 0.48
ERN1 O75460 1/20 0.45
PTPN11 Q06124 3/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
GSTP1 P09211 1/20 0.44
LTA4H P09960 1/20 0.43
MCL1 Q07820 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL8774032 0.95 RARB (0.51) FFAR1PPARDRARBRARAERN1
SCHEMBL8773970 0.92 ERN1 (0.51) FFAR1PPARDERN1PTPN11PTPN1
SCHEMBL8773957 0.92 ERN1 (0.51) FFAR1PPARDERN1PTPN11PTPN1
SCHEMBL8773964 0.92 ERN1 (0.51) FFAR1PPARDERN1PTPN11PTPN1
SCHEMBL8774013 0.92 ERN1 (0.51) FFAR1PPARDERN1PTPN11PTPN1
SCHEMBL9152857 0.87 RARB (0.53) RARBRARAPTPN11PTPN1PTPN6
SCHEMBL10339089 0.87 RARB (0.53) RARBRARAPTPN11PTPN1PTPN6
SCHEMBL7788886 0.87 PTPN11 (0.53) RARBRARAPTPN11PTPN1PTPN6
SCHEMBL7786753 0.87 PTPN11 (0.53) RARBRARAPTPN11PTPN1PTPN6
SCHEMBL8652239 0.85 LOXL2 (0.45) FFAR1PPARDERN1PTPN11PTPN1

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
US-5182047-A FLUORINATED BIPHENYLDIOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1993-01-26 US disclosed
EP-0368975-B1 FLUORINATED BIPHENYLDIOLE DERIVATIVES MERCK PATENT GmbH (DE) 1992-12-16 EP disclosed