SCHEMBL7789650

SCHEMBL7789650

O=C(O)c1ccc(-c2ccc(-c3ccccc3)c(OS(=O)(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.56
PDK2 Q15119 2/20 0.48
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
RXRA P19793 5/20 0.43
RXRB P28702 5/20 0.43
RXRG P48443 2/20 0.43
MAP4K4 O95819 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
CYP2C8 P10632 1/20 0.40

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
SCHEMBL6741308 0.88 EGFR (0.61) EGFRPDK2RAB9A
SCHEMBL5847620 0.88 EGFR (0.61) EGFRPDK2RAB9A
SCHEMBL8441560 0.83 S100A4 (0.43) EGFRPDK2
SCHEMBL23302957 0.81 LMNA (0.39) EGFRMEN1RAB9AKMT2APDE4A
SCHEMBL19125475 0.81 PTGS2 (0.55) EGFRPDK2MEN1KMT2A
SCHEMBL29458425 0.79 SLC6A9 (0.44) PDK2MEN1NPC1RAB9AKMT2A
SCHEMBL24780613 0.78 MEN1 (0.43) MEN1RAB9AKMT2A
SCHEMBL21178077 0.77 EGFR (0.64) EGFRRXRARXRBRXRG
SCHEMBL18822403 0.76 PTGS2 (0.50) EGFRPDK2RAB9AKMT2A
SCHEMBL9857813 0.76 DHODH (0.37) EGFRMEN1RAB9AKMT2AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952974-B1 BIPHENYL DERIVATIVES SUBSTITUTED BY AN AROMATIC OR HETEROAROMATIC RADICAL AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING SAME GALDERMA RES & DEV (FR) 2001-11-21 EP disclosed