SCHEMBL11901941

SCHEMBL11901941

C=CC(=O)Oc1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.50
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MGLL Q99685 1/20 0.37
TYMS P04818 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
PRSS1 P07477 1/20 0.36
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
KCNA5 P22460 1/20 0.36
PTGER1 P34995 1/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL11901938 0.85 PTGDR2 (0.41) PTGDR2TYMSTHRBTHRASLC22A12
SCHEMBL38662681 0.81 NCEH1 (0.41) PTGDR2CYP11B1CYP11B2TYMSCA1
SCHEMBL29733244 0.81 FABP3 (0.49) TYMSTHRBTHRAKMT2AFABP7
SCHEMBL35121 0.81 FABP3 (0.49) TYMSTHRBTHRAKMT2AFABP7
SCHEMBL27937335 0.80 THRB (0.39) PTGDR2TYMSTHRBTHRAMEN1
SCHEMBL13766413 0.80 EGFR (0.42) CYP19A1THRBMEN1KMT2A
Biphenyl SCHEMBL27827806 0.79 FABP3 (0.48) TYMSTHRBTHRAKMT2AFABP7
SCHEMBL30098854 0.79 EGFR (0.45) CA1CA2MEN1KMT2A
SCHEMBL8914753 0.78 KMT2A (0.49) PTGDR2CYP19A1CYP11B1CYP11B2PRSS1
SCHEMBL8840289 0.78 PTGDR2 (0.43) PTGDR2CYP19A1CYP11B1CYP11B2MGLL

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-20120202084-A1 HEAT-INSULATING PARTICULATE PIGMENT AND INFRARED-REFLECTIVE COATING SOLUTION ZEON CORPORATION (JP) 2012-08-09 US disclosed