SCHEMBL5050501

SCHEMBL5050501

O=C(OCCOCCOCCOCCCCCCCCCCCS)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.39
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.32
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32

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
SCHEMBL5053900 0.87 SERPINE1 (0.40) SERPINE1TSHRALDH1A1LMNAESR1
SCHEMBL5050530 0.86 CES2 (0.41) SERPINE1TSHRALDH1A1LMNATP53
SCHEMBL5049251 0.84 SERPINE1 (0.50) SERPINE1ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL5053888 0.81 RAB9A (0.44) SERPINE1TSHRALDH1A1LMNARARA
SCHEMBL823817 0.81 ESR1 (0.44) SERPINE1ESR1CYP3A4
SCHEMBL825582 0.81 ESR1 (0.44) SERPINE1ESR1CYP3A4
SCHEMBL3625514 0.81 ESR1 (0.44) SERPINE1ESR1CYP3A4
SCHEMBL825719 0.80 RARB (0.37) SERPINE1ALDH1A1RARARARB
SCHEMBL826523 0.77 RARB (0.37) ALDH1A1RARARARB
SCHEMBL826549 0.77 SERPINE1 (0.44) SERPINE1ALDH1A1ESR1AKR1C4AKR1C3

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-1798250-B1 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules IMEC INTER UNI MICRO ELECTR (BE) 2008-09-03 EP disclosed
EP-1798250-A2 Molecules suitable for binding to a metal layer for covalently immobilizing biomolecules INTERUNIVERSITAIR MICROELEKTRONICA CENTRUM vzw (IMEC) (BE) 2007-06-20 EP disclosed