SCHEMBL8622044

SCHEMBL8622044

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
THRA P10827 3/20 0.56
THRB P10828 3/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 1/20 0.52
SPHK1 Q9NYA1 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
KAT8 Q9H7Z6 1/20 0.51

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
SCHEMBL8626430 0.90 THRA (0.57) THRATHRBCA12CA1CA2
SCHEMBL8626030 0.89 POLB (0.59) POLBTHRATHRBCA12CA1
SCHEMBL8626264 0.86 ALDH1A1 (0.67) POLBTHRATHRBNPC1RAB9A
SCHEMBL9312715 0.82 POLB (0.84) POLBTHRATHRBCA12CA1
SCHEMBL8628167 0.82 TRPV1 (0.63) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8626443 0.82 TRPV1 (0.63) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8626992 0.82 TRPV1 (0.63) POLBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL8624655 0.82 GAA (0.60) POLB
SCHEMBL13239485 0.81 POLB (0.88) POLBTHRATHRBCA12CA1
SCHEMBL15894575 0.81 ALDH1A1 (0.68) CA1CA2NPC1RAB9ASMN1; SMN2

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