SCHEMBL8152091

SCHEMBL8152091

C=C(C)C(=O)OCCC(=Cc1cc(C#N)cc(C#N)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 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 0.33
▸ TSHR P16473 2/20 0.33
▸ DNM1 Q05193 3/20 0.32
▸ GPR35 Q9HC97 2/20 0.31
▸ PTP4A1 Q93096 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
SCHEMBL8143850 0.93 POLB (0.40) APEX1POLBHTTTDP1PDCD1
SCHEMBL8150918 0.89 PDCD1 (0.51) APEX1POLBHTTTDP1PDCD1
SCHEMBL8152013 0.88 FBP1 (0.40) APEX1POLBHTTTDP1PDCD1
SCHEMBL8153247 0.83 PDCD1 (0.50) APEX1POLBHTTTDP1PDCD1
SCHEMBL8152247 0.82 PPARG (0.42) APEX1POLBHTTTDP1PTGES
SCHEMBL8144746 0.82 DNM1 (0.37) APEX1POLBHTTTDP1PDCD1
SCHEMBL8151997 0.81 APEX1 (0.38) APEX1POLBHTTTDP1PTGES
SCHEMBL8143834 0.81 APEX1 (0.36) APEX1POLBHTTTDP1PTGES
SCHEMBL8157213 0.81 POLB (0.43) APEX1POLBHTTTDP1PDCD1
SCHEMBL9340619 0.79 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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