SCHEMBL3517014

SCHEMBL3517014

CC(C)/C(C(=O)O)=C(/CCN(C)C)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
UBE2N P61088 1/20 0.32
KDM4A O75164 6/20 0.30
KDM4C Q9H3R0 6/20 0.30
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL3517021 1.00 KDM4E (0.34) KDM4EALDH1A1TDP1UBE2NKDM4A
SCHEMBL10973438 0.80 KDM4A (0.36) KDM4EALDH1A1UBE2NKDM4AKDM4C
SCHEMBL10973452 0.80 KDM4A (0.36) KDM4EALDH1A1UBE2NKDM4AKDM4C
SCHEMBL3516699 0.77 FNTA (0.32)
SCHEMBL3516588 0.77 HDAC1 (0.40) ALDH1A1TDP1
SCHEMBL3516594 0.77 HDAC1 (0.40) ALDH1A1TDP1
SCHEMBL3516694 0.77 FNTA (0.32)
SCHEMBL3516372 0.75 CA1 (0.43) KDM4AKDM4CPHF8KDM2A
SCHEMBL3516367 0.75 CA1 (0.43) KDM4AKDM4CPHF8KDM2A
SCHEMBL3518737 0.73 FNTA (0.47) ALDH1A1TDP1

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-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed