SCHEMBL8156645

SCHEMBL8156645

C=C(C)C(=O)OCCCC(=Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.43
▸ POLB P06746 2/20 0.39
▸ APEX1 P27695 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ MEN1 O00255 2/20 0.35

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
SCHEMBL8151236 0.93 PTGS2 (0.44) PTGS2POLBAPEX1HTTTDP1
SCHEMBL8151145 0.88 APEX1 (0.40) PTGS2POLBAPEX1HTTTDP1
SCHEMBL8157301 0.86 GRIK1 (0.44) POLBAPEX1HTTTDP1AKR1C3
SCHEMBL8152443 0.85 POLB (0.40) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8158710 0.84 DPEP1 (0.40) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8153247 0.84 PDCD1 (0.50) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8157455 0.83 APEX1 (0.40) POLBAPEX1HTTTDP1ALOX5
SCHEMBL8157860 0.83 GLO1 (0.52) KDM4EKMT2AALDH1A1MEN1CYP2C9
SCHEMBL8151997 0.81 APEX1 (0.38) PTGS2POLBAPEX1HTTTDP1
SCHEMBL8153382 0.80 DPEP1 (0.40) POLBAPEX1HTTTDP1ALOX5

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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