SCHEMBL432741

SCHEMBL432741

C=C(C)C(=O)OCCOC(=O)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 4/20 0.58
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.51
BRCA1 P38398 1/20 0.51
NPC1 O15118 6/20 0.49
RAB9A P51151 5/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
THRB P10828 1/20 0.44

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
SCHEMBL7953129 0.94 ALDH1A1 (0.52) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL7948646 0.93 ALDH1A1 (0.51) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL7948770 0.93 ALDH1A1 (0.51) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL7949416 0.93 ALDH1A1 (0.51) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL7941418 0.93 ALDH1A1 (0.51) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL7951335 0.93 ALDH1A1 (0.51) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL7948704 0.93 ALDH1A1 (0.51) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL11878300 0.88 ALDH1A1 (0.45) KMT2AALDH1A1MEN1GLABRCA1
SCHEMBL434364 0.84 LMNA (0.57) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL21678053 0.83 ALDH1A1 (0.56) KMT2AALDH1A1MEN1GLABRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012010918-A2 OPTICAL DEVICES MEDICONTUR ORVOSTECHNIKAI KFT. (HU) 2012-01-26 WO disclosed
US-7279534-B2 Poly(heteroaromatic) block copolymers with electrical conductivity TDA RESEARCH, INC. (US) 2007-10-09 US disclosed
US-7279534-B2 Poly(heteroaromatic) block copolymers with electrical conductivity TDA RESEARCH, INC. (US) 2007-10-09 US disclosed
US-6265508-B1 Metal surface treatment agent having thiophenecarboxylic acid ester-containing and phosphoric acid ester-containing polymerizable monomer groups GC CORPORATION (JP) 2001-07-24 US disclosed