SCHEMBL8158313

SCHEMBL8158313

C=C(C)C(=O)OCCC(=Cc1cccc(F)c1C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.35
▸ PTGES O14684 2/20 0.35
▸ APEX1 P27695 5/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ PPARG P37231 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL8157433 0.93 APEX1 (0.39) ALOX5PTGESAPEX1POLBHTT
SCHEMBL8550897 0.79 SMN1; SMN2 (0.36) ALOX5PTGESHTTSMN1; SMN2CYP1A2
SCHEMBL8157285 0.78 NFE2L2 (0.44) ALOX5PTGESPOLBSMN1; SMN2CYP1A2
SCHEMBL8143779 0.78 MAPT (0.46) ALOX5PTGESAPEX1POLBHTT
SCHEMBL9340619 0.77 CYP3A4 (0.46) ALOX5PTGESAPEX1POLBHTT
SCHEMBL8152330 0.77 CYP3A4 (0.46) ALOX5PTGESAPEX1POLBHTT
SCHEMBL8157079 0.77 MEN1 (0.46) ALOX5PTGESAPEX1POLBHTT
SCHEMBL8150989 0.76 ALDH1A1 (0.41) ALOX5PTGESAPEX1SMN1; SMN2CYP1A2
SCHEMBL8158310 0.76 ALOX5 (0.42) ALOX5SMN1; SMN2ALDH1A1THRBMEN1
SCHEMBL8152924 0.76 TRPA1 (0.38) ALOX5PTGESAPEX1POLBHTT

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
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