SCHEMBL8626430

SCHEMBL8626430

CCCCCCCc1ccc(NC(=O)C(=O)Nc2ccc(O)c(O)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.57
THRB P10828 3/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
SPHK1 Q9NYA1 7/20 0.53
KAT8 Q9H7Z6 2/20 0.52
ALOX15 P16050 1/20 0.52
S1PR1 P21453 1/20 0.52

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
SCHEMBL8622044 0.90 POLB (0.59) THRATHRBCA12CA1CA2
SCHEMBL8622878 0.89 THRA (0.57) THRATHRBCA12CA1CA2
SCHEMBL15329730 0.88 THRA (0.69) THRATHRBCA12CA1CA2
SCHEMBL12491077 0.88 THRA (0.69) THRATHRBCA12CA1CA2
SCHEMBL8622633 0.85 ESR1 (0.69) THRATHRBCA12CA1CA2
SCHEMBL8624821 0.82 TRPV1 (0.57)
SCHEMBL8623273 0.82 TRPV1 (0.57)
SCHEMBL8621957 0.82 TRPV1 (0.57)
SCHEMBL8624890 0.81 FAAH (0.56) S1PR1
SCHEMBL16741944 0.80 THRA (0.62) THRATHRBCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648612-B1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-06-10 EP disclosed
US-5498772-A SUBSTRATE WITH HEAT SENSITIVE LAYER AND OPTICAL RECORDING LAYER MITSUBISHI PAPER MILLS LIMITED (JP) 1996-03-12 US disclosed
EP-0648612-A1 Reversible heat-sensitive recording material MITSUBISHI PAPER MILLS, LTD. (JP) 1995-04-19 EP disclosed