SCHEMBL8157079

SCHEMBL8157079

C=C(C)C(=O)OCCC(=Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ TRPA1 O75762 3/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ PTGES O14684 1/20 0.36

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
SCHEMBL8150711 0.92 MEN1 (0.44) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL8157309 0.88 CA1 (0.40) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL8152330 0.88 CYP3A4 (0.46) MEN1KMT2ALMNAMAPTCYP2C9
SCHEMBL9340619 0.88 CYP3A4 (0.46) MEN1KMT2ALMNAMAPTCYP2C9
SCHEMBL8143834 0.87 APEX1 (0.36) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL8153430 0.87 GRIK1 (0.46) CYP2C9HTTPOLBAPEX1TDP1
SCHEMBL8380576 0.87 GRIK1 (0.46) CYP2C9HTTPOLBAPEX1TDP1
SCHEMBL8152937 0.86 PSEN1 (0.39) MAPTNPSR1HTTPOLBAPEX1
SCHEMBL8152924 0.86 TRPA1 (0.38) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL8381808 0.86 TDP1 (0.43) KMT2ALMNAMAPTHTTPOLB

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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