SCHEMBL14726523

SCHEMBL14726523

CCOCC(O)CNCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
CA12 O43570 2/20 0.38
F13A1 P00488 2/20 0.38
CA2 P00918 2/20 0.38
CYP1A2 P05177 2/20 0.38
ALOX15 P16050 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
THPO P40225 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11387212 0.93 KDM4E (0.50) KDM4ECA12F13A1CA2CYP1A2
SCHEMBL11235646 0.90 KDM4E (0.53) KDM4EHTTSMN1; SMN2KMT2AALDH1A1
SCHEMBL14198102 0.89 KDM4E (0.57) KDM4EPKMSMN1; SMN2KMT2AALDH1A1
SCHEMBL11386042 0.86 KDM4E (0.50) KDM4ECA12CA2ALOX15CA4
SCHEMBL11225463 0.86 KDM4E (0.50) KDM4ECA12CA2ALOX15CA4
SCHEMBL13600228 0.84 KDM4E (0.44) KDM4ECA12F13A1CA2CYP1A2
SCHEMBL9364333 0.80 CA12 (0.44) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL16948555 0.80 KDM4E (0.59) KDM4EHTTKMT2AMEN1
SCHEMBL9325021 0.80 CA12 (0.52) CA12F13A1CA2CYP1A2ALOX15
SCHEMBL12761111 0.79 HTT (0.51) KDM4ECYP1A2ALOX15HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130048559-A1 Method of Preparing a Substrate for Immobilization of Functional Substances Thereon and the Substrate Obtained Therefrom TEMASEK POLYTECHNIC (SG) 2013-02-28 US disclosed