SCHEMBL8151236

SCHEMBL8151236

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.44
▸ AKR1C3 P42330 1/20 0.40
▸ APEX1 P27695 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ FBP1 P09467 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAOB P27338 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
SCHEMBL8156645 0.93 PTGS2 (0.43) PTGS2AKR1C3APEX1KDM4EKMT2A
SCHEMBL8151997 0.88 APEX1 (0.38) PTGS2APEX1POLBTDP1HTT
SCHEMBL9340619 0.86 CYP3A4 (0.46) AKR1C3APEX1KDM4EKMT2AALDH1A1
SCHEMBL8152330 0.86 CYP3A4 (0.46) AKR1C3APEX1KDM4EKMT2AALDH1A1
SCHEMBL8143779 0.86 MAPT (0.46) PTGS2AKR1C3APEX1KMT2APOLB
SCHEMBL8153430 0.85 GRIK1 (0.46) AKR1C3APEX1ALDH1A1POLBCYP2C9
SCHEMBL8380576 0.85 GRIK1 (0.46) AKR1C3APEX1ALDH1A1POLBCYP2C9
SCHEMBL8156850 0.84 DPEP1 (0.39) APEX1KDM4EALDH1A1POLBLMNA
SCHEMBL8144233 0.84 DPEP1 (0.41) APEX1KMT2APOLBPKMMEN1
SCHEMBL8150918 0.83 PDCD1 (0.51) APEX1KDM4EPOLBFBP1MAPT

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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