SCHEMBL8151997

SCHEMBL8151997

C=C(C)C(=O)OCCC(=Cc1cc(Cl)cc(Cl)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 5/20 0.38
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TSHR P16473 3/20 0.35
▸ GRIK1 P39086 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ GRN P28799 1/20 0.31
▸ SORT1 Q99523 1/20 0.31

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
SCHEMBL8151145 0.92 APEX1 (0.40) APEX1POLBHTTTDP1PTGES
SCHEMBL8151236 0.88 PTGS2 (0.44) APEX1POLBHTTTDP1PTGES
SCHEMBL8380576 0.87 GRIK1 (0.46) APEX1POLBHTTTDP1ALOX5
SCHEMBL8153430 0.87 GRIK1 (0.46) APEX1POLBHTTTDP1ALOX5
SCHEMBL8143834 0.84 APEX1 (0.36) APEX1POLBHTTTDP1PTGES
SCHEMBL8156850 0.84 DPEP1 (0.39) APEX1POLBHTTTDP1PTGES
SCHEMBL8144233 0.83 DPEP1 (0.41) APEX1POLBHTTTDP1PTGES
SCHEMBL8152247 0.83 PPARG (0.42) APEX1POLBHTTTDP1PTGES
SCHEMBL8152330 0.82 CYP3A4 (0.46) APEX1POLBHTTTDP1PTGES
SCHEMBL9340619 0.82 CYP3A4 (0.46) APEX1POLBHTTTDP1PTGES

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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