SCHEMBL5804331

SCHEMBL5804331

O=C(NCc1ccco1)C(O)CCS

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ EPHX2 P34913 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ PTPN7 P35236 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL14279165 0.76 HPGD (0.51) ALDH1A1TDP1POLBHPGDHSD17B10
SCHEMBL11749078 0.76 EPHX2 (0.58) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL1106990 0.76 ALDH1A1 (0.60) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL2638805 0.76 ALDH1A1 (0.68) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL24575916 0.75 EPHX2 (0.83) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL14694017 0.75 ALDH1A1 (0.66) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL18415483 0.75 POLB (0.77) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL1455280 0.73 ALDH1A1 (0.64) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL1694937 0.73 ALDH1A1 (0.64) ALDH1A1EPHX2TDP1POLBHPGD
SCHEMBL29410065 0.73 ALDH1A1 (0.74) ALDH1A1EPHX2TDP1POLBHPGD

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
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