SCHEMBL750978

SCHEMBL750978

O=C(COC(=O)C1CCCN1C(=O)O)c1ccc2c(c1)CCc1cc(Br)ccc1-2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.47
SRD5A2 P31213 2/20 0.47
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
FKBP1A P62942 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 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
SCHEMBL751497 0.91 ALDH1A1 (0.39) SRD5A1SRD5A2ALDH1A1MAPTTDP1
SCHEMBL2708764 0.87 UCHL1 (0.45) SRD5A1SRD5A2ALDH1A1KMT2ANPC1
SCHEMBL205084 0.87 UCHL1 (0.45) SRD5A1SRD5A2ALDH1A1KMT2ANPC1
SCHEMBL749960 0.85 ALDH1A1 (0.44) ALDH1A1MAPTTDP1FKBP1AL3MBTL1
SCHEMBL2757491 0.85 ALDH1A1 (0.44) ALDH1A1MAPTTDP1FKBP1AL3MBTL1
SCHEMBL750745 0.81 ALDH1A1 (0.41) ALDH1A1MAPTTDP1FKBP1AL3MBTL1
SCHEMBL751808 0.81 ALDH1A1 (0.41) ALDH1A1MAPTTDP1FKBP1AL3MBTL1
SCHEMBL204193 0.79 USP30 (0.42) ALDH1A1KMT2ANPC1HPGD
SCHEMBL2706884 0.79 USP30 (0.42) ALDH1A1KMT2ANPC1HPGD
SCHEMBL15848654 0.77 ALDH1A1 (0.50) ALDH1A1FKBP1AKMT2AHPGD

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