SCHEMBL2036280

SCHEMBL2036280

[CH2]CC(N)NCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.41
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NOD1 Q9Y239 1/20 0.37
RRM1 P23921 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34

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
SCHEMBL238758 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL2166884 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL3449630 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL7176943 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL7176165 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL3450949 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL10657278 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL831200 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL3450266 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2
SCHEMBL28933178 0.82 EPHX1 (0.44) EPHX1ALDH1A1TSHRANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964363-B2 Direct determination of vitamin D in serum or plasma IMMUNDIAGNOSTIK AG (DE) 2011-06-21 US disclosed
EP-2126586-B1 DIRECT DETERMINATION OF VITAMIN D IN SERUM OR PLASMA IMMUNDIAGNOSTIK AG (DE) 2010-06-30 EP disclosed
US-20100068725-A1 DIRECT DETERMINATION OF VITAMIN D IN SERUM OR PLASMA IMMUNDIAGNOSTIK AG (DE) 2010-03-18 US disclosed
EP-2126586-A1 DIRECT DETERMINATION OF VITAMIN D IN SERUM OR PLASMA Immundiagnostik AG (DE) 2009-12-02 EP disclosed
WO-2008092917-A1 DIRECT DETERMINATION OF VITAMIN D IN SERUM OR PLASMA IMMUNDIAGNOSTIK AG (DE) 2008-08-07 WO disclosed