SCHEMBL16143876

SCHEMBL16143876

C=C(C)C(=O)OCC(COC(=O)Nc1sccc1C)OC(=O)c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ MAPK8 P45983 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ STAT1 P42224 1/20 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
SCHEMBL16143885 0.93 MAPT (0.34) F2RMAPTHPGDALDH1A1KDM4E
SCHEMBL125755 0.87 ALDH1A1 (0.39) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL16143796 0.80 PTPN1 (0.36) MAPTHPGDALDH1A1KDM4ENPSR1
SCHEMBL123522 0.80 ADRB2 (0.42) MAPTHPGDALDH1A1KDM4ESMN1; SMN2
SCHEMBL12018021 0.79 ALDH1A1 (0.47) F2RMAPTHPGDALDH1A1KDM4E
SCHEMBL12019253 0.78 TSHR (0.40) MAPTHPGDALDH1A1KDM4ENPC1
SCHEMBL12018017 0.77 F2R (0.45) F2RMAPTHPGDALDH1A1KDM4E
SCHEMBL12018022 0.72 ALDH1A1 (0.45) MAPTHPGDALDH1A1KDM4ENPC1
SCHEMBL9615565 0.71 ALDH1A1 (0.45) HPGDALDH1A1KDM4ETDP1TP53
SCHEMBL12018026 0.71 ALDH1A1 (0.51) HPGDALDH1A1KDM4ENPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 — — EP disclosed
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