SCHEMBL8150918

SCHEMBL8150918

C=C(C)C(=O)OCCC(=Cc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.51
▸ CD274 Q9NZQ7 1/20 0.51
▸ FBP1 P09467 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ P4HB P07237 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DNM1 Q05193 3/20 0.35
▸ FFAR1 O14842 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
SCHEMBL8153247 0.94 PDCD1 (0.50) PDCD1CD274FBP1POLBAPEX1
SCHEMBL8152091 0.89 APEX1 (0.36) PDCD1CD274POLBAPEX1HTT
SCHEMBL8152013 0.86 FBP1 (0.40) PDCD1CD274FBP1POLBAPEX1
SCHEMBL8143850 0.84 POLB (0.40) PDCD1CD274POLBAPEX1HTT
SCHEMBL8152330 0.83 CYP3A4 (0.46) POLBAPEX1HTTTDP1KDM4E
SCHEMBL9340619 0.83 CYP3A4 (0.46) POLBAPEX1HTTTDP1KDM4E
SCHEMBL8144746 0.83 DNM1 (0.37) PDCD1CD274POLBAPEX1HTT
SCHEMBL8143779 0.83 MAPT (0.46) FBP1POLBAPEX1HTTTDP1
SCHEMBL8151236 0.83 PTGS2 (0.44) FBP1POLBAPEX1HTTTDP1
SCHEMBL8157213 0.82 POLB (0.43) PDCD1CD274FBP1POLBAPEX1

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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