SCHEMBL16355252

SCHEMBL16355252

CCCCOCCOCCOCCOCCC(=O)N(C)CCOCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
TSHR P16473 3/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 3/20 0.37
EPHX2 P34913 3/20 0.37
CNR1 P21554 1/20 0.37
DNM1 Q05193 1/20 0.36
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
RARB P10826 1/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.34
CES2 O00748 1/20 0.33

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
SCHEMBL1377069 0.88 TSHR (0.42) THRATSHRCYP3A4ALDH1A1EPHX2
SCHEMBL27111047 0.87 EPHX2 (0.50) ALDH1A1EPHX2CNR1DNM1MEN1
SCHEMBL26838508 0.85 TSHR (0.43) THRATSHRCYP3A4ALDH1A1EPHX2
SCHEMBL12452054 0.84 TSHR (0.42) TSHRCYP3A4ALDH1A1EPHX2DNM1
SCHEMBL22856582 0.84 TSHR (0.42) TSHRCYP3A4ALDH1A1EPHX2DNM1
SCHEMBL1373151 0.83 CES2 (0.43) THRATSHRCYP3A4ALDH1A1EPHX2
SCHEMBL12848670 0.82 TSHR (0.43) TSHRCYP3A4ALDH1A1DNM1MEN1
SCHEMBL1376669 0.82 TSHR (0.43) TSHRCYP3A4ALDH1A1EPHX2DNM1
SCHEMBL1373497 0.82 ALDH1A1 (0.39) THRATSHRALDH1A1EPHX2CNR1
SCHEMBL1373191 0.81 CES2 (0.46) THRAALDH1A1EPHX2CNR1DNM1

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-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed