SCHEMBL13636553

SCHEMBL13636553

C=C(C)CC(=O)CCCCC(=O)CC(=C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.41
KDM4E B2RXH2 1/20 0.39
KDM6B O15054 1/20 0.39
KDM5C P41229 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.33
PAOX Q6QHF9 2/20 0.33
ADRA1A P35348 1/20 0.33
SOAT1 P35610 1/20 0.32
TSHR P16473 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL10897213 0.89 HAO1 (0.59) HAO1MAPTKMT2AALDH1A1TSHR
SCHEMBL9332086 0.89 HAO1 (0.59) HAO1MAPTKMT2AALDH1A1TSHR
SCHEMBL11055658 0.87 HAO1 (0.47) HAO1KDM4EMAPTKMT2AALDH1A1
SCHEMBL825440 0.82 TDP1 (0.39) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL10935755 0.81
SCHEMBL14642098 0.80 SOAT1 (0.44) KDM4EMAPTKMT2AALDH1A1SOAT1
SCHEMBL10906151 0.79 PHF8 (0.65) KDM4EKDM6BKDM5CEGLN1PHF8
SCHEMBL28981201 0.79 THRB (0.44) KMT2AALDH1A1TSHRCES2SMN1; SMN2
SCHEMBL8846311 0.77 KDM4E (0.62) HAO1KDM4EKDM6BKDM5CEGLN1
SCHEMBL10187359 0.76 NOS2 (0.46) KMT2ATSHR

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-8304117-B2 Comprises bismaleimide oligomer formed by reaction of barbituric acid and bismaleimide INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-11-06 US disclosed
US-20080160404-A1 Gel polymer electrolyte precursor and rechargeable cell comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2008-07-03 US disclosed