SCHEMBL8143779

SCHEMBL8143779

C=C(C)C(=O)OCCC(=Cc1cccc(F)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ AKR1C2 P52895 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ AKR1C3 P42330 1/20 0.40
▸ PTGS1 P23219 2/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPARG P37231 2/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL8143834 0.88 APEX1 (0.36) MAPTKMT2AMEN1TDP1POLB
SCHEMBL8152330 0.86 CYP3A4 (0.46) MAPTAKR1C3KMT2AMEN1TDP1
SCHEMBL9340619 0.86 CYP3A4 (0.46) MAPTAKR1C3KMT2AMEN1TDP1
SCHEMBL8151236 0.86 PTGS2 (0.44) MAPTPTGS2AKR1C3KMT2AMEN1
SCHEMBL8157079 0.85 MEN1 (0.46) MAPTAKR1C2PTGS2AKR1C3KMT2A
SCHEMBL8152924 0.84 TRPA1 (0.38) MAPTPTGS2KMT2AMEN1TDP1
SCHEMBL8150918 0.83 PDCD1 (0.51) MAPTFBP1TDP1POLBAPEX1
SCHEMBL8150606 0.82 GLO1 (0.54) MAPTKMT2AMEN1FBP1MAPK1
SCHEMBL8144233 0.81 DPEP1 (0.41) MAPTKMT2AMEN1TDP1POLB
SCHEMBL8151214 0.81 DPEP1 (0.41) TDP1POLBAPEX1HTTPPARG

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-RE36625-E Linear and cyclic polymers or oligomers having a photoreactive ethene group ROLIC AG (CH) 2000-03-21 — — US disclosed
US-5539074-A LIQUID CRYSTAL POLYMERS ON SILICA FOR LIGHT SENSITIVE ELEMENTS HOFFMANN-LA ROCHE INC. (US) 1996-07-23 — — US disclosed
Send feedback