SCHEMBL13435133

SCHEMBL13435133

C=CC(=O)c1ccc(C(=O)C=C)c(C(=O)C=C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
EGFR P00533 1/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
JAK1 P23458 1/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH5A1 P51649 1/20 0.54
ABAT P80404 1/20 0.54
AKT1 P31749 1/20 0.50

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
SCHEMBL9812506 0.78 ALDH5A1 (0.54) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL4256312 0.78 ALDH5A1 (0.80) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL27762114 0.76 ALDH1A1 (0.53) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL19335013 0.76 ALDH1A1 (0.48) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL10769840 0.75 ALDH1A1 (0.44) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL16784591 0.75 ALDH5A1 (0.50) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL2221664 0.74 ALDH5A1 (0.59) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL10347642 0.74 AKT1 (0.61) HSD17B10KDM4EMEN1KMT2ATDP1
SCHEMBL13562476 0.74 PKM (0.50) HSD17B10KDM4EMEN1KMT2ATDP1
Vinyl Ether SCHEMBL8030936 0.73 ALDH5A1 (0.64) HSD17B10KDM4EMEN1KMT2ATDP1

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
US-8574454-B2 Patternable liquid crystal polymer comprising thio-ether units ROLIC AG (CH) 2013-11-05 US disclosed
US-20100059709-A1 PATTERNABLE LIQUID CRYSTAL POLYMER COMPRISING THIO-ETHER UNITS ROLIC AG (CH) 2010-03-11 US disclosed