SCHEMBL8626264

SCHEMBL8626264

CCCCCCCc1ccc(NC(=O)CC(=O)Nc2ccc(O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
ESR1 P03372 2/20 0.67
ADRA2A P08913 2/20 0.67
ADORA3 P0DMS8 2/20 0.67
TACR2 P21452 2/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
TP53 P04637 2/20 0.67
CYP3A4 P08684 2/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 1/20 0.67
SHBG P04278 1/20 0.67
HSPD1 P10809 1/20 0.67
ADRB3 P13945 1/20 0.67
HTR2C P28335 1/20 0.67
HSPE1 P61604 1/20 0.67
HIF1A Q16665 1/20 0.67
TST Q16762 1/20 0.67
HSD17B10 Q99714 1/20 0.67

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
SCHEMBL7201038 0.91 PSMB11 (0.71) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8622633 0.89 ESR1 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8388438 0.89 ESR1 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8755871 0.89 ESR1 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL9312715 0.87 POLB (0.84) ALDH1A1KDM4EPOLBTHRATHRB
SCHEMBL7056819 0.86 POLB (0.88) ALDH1A1POLBTHRATHRBHPGD
SCHEMBL13239485 0.86 POLB (0.88) ALDH1A1POLBTHRATHRBHPGD
SCHEMBL8622044 0.86 POLB (0.59) ALDH1A1HSD17B10POLBTHRATHRB
SCHEMBL8626030 0.86 POLB (0.59) ALDH1A1POLBTHRATHRBHPGD
SCHEMBL8756857 0.85 TRPV1 (0.68) ALDH1A1ESR1ADRA2AADORA3TACR2

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