SCHEMBL8157433

SCHEMBL8157433

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX5 P09917 7/20 0.39
▸ PTGES O14684 5/20 0.39
▸ TSHR P16473 2/20 0.35
▸ PPARG P37231 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PSEN1 P49768 2/20 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
SCHEMBL8158313 0.93 ALOX5 (0.35) APEX1POLBHTTTDP1ALOX5
SCHEMBL8150989 0.81 ALDH1A1 (0.41) APEX1ALOX5PTGESTSHRPPARG
SCHEMBL8150711 0.78 MEN1 (0.44) APEX1POLBHTTTDP1ALOX5
SCHEMBL8550897 0.77 SMN1; SMN2 (0.36) HTTALOX5PTGESSMN1; SMN2KDM4E
SCHEMBL8157455 0.77 APEX1 (0.40) APEX1POLBHTTTDP1ALOX5
SCHEMBL8157427 0.77 KDM4E (0.41) APEX1POLBHTTTDP1ALOX5
SCHEMBL8144690 0.77 HTT (0.40) APEX1POLBHTTTDP1ALOX5
SCHEMBL8150966 0.77 POLB (0.38) APEX1POLBHTTTDP1ALOX5
SCHEMBL8151217 0.76 HTT (0.43) APEX1POLBHTTTDP1ALOX5
SCHEMBL8150943 0.75 POLB (0.40) APEX1POLBHTTTDP1ALOX5

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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