SCHEMBL751808

SCHEMBL751808

O=C(COC(=O)C1CCCN1C(=O)O)c1ccc2c(c1)oc1cc(Br)ccc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
FKBP1A P62942 8/20 0.39
SCD5 Q86SK9 1/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2707839 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL205797 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL2757464 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1
SCHEMBL2757491 0.85 ALDH1A1 (0.44) ALDH1A1FKBP1AKMT2AL3MBTL1MAPT
SCHEMBL749960 0.85 ALDH1A1 (0.44) ALDH1A1FKBP1AKMT2AL3MBTL1MAPT
SCHEMBL750745 0.84 ALDH1A1 (0.41) ALDH1A1FKBP1AKMT2AL3MBTL1MAPT
SCHEMBL750978 0.81 SRD5A1 (0.47) ALDH1A1FKBP1AKMT2AL3MBTL1MAPT
SCHEMBL9977357 0.81 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL751497 0.81 ALDH1A1 (0.39) ALDH1A1FKBP1AKMT2AL3MBTL1MAPT
SCHEMBL2706749 0.80 MEN1 (0.51) ALDH1A1KMT2AMEN1L3MBTL1

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
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed