SCHEMBL7200829

SCHEMBL7200829

CCCCCCCCCCCCCCCCCC(=O)NC(=O)CCCCCc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.69
ADRA2A P08913 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
TACR2 P21452 2/20 0.69
SLC6A2 P23975 2/20 0.69
SLC6A4 P31645 2/20 0.69
SLC6A3 Q01959 2/20 0.69
HSD17B10 Q99714 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
SHBG P04278 1/20 0.69
TP53 P04637 1/20 0.69
CYP3A4 P08684 1/20 0.69
HSPD1 P10809 1/20 0.69
ADRB3 P13945 1/20 0.69
HTR2C P28335 1/20 0.69
HSPE1 P61604 1/20 0.69
HIF1A Q16665 1/20 0.69
TST Q16762 1/20 0.69

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
SCHEMBL7195929 0.94 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7197295 0.88 ESR1 (0.65) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7193607 0.87 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7194125 0.87 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7201038 0.87 PSMB11 (0.71) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7193335 0.87 ESR1 (0.63) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL8621969 0.86 ESR1 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL13804556 0.86 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL13804557 0.86 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL7263373 0.85 GPR119 (0.64) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596669-B1 Comprising a support and two reversible heat-sensitive recording layers having different colors formed on the same side of the support, comprising colorless electron-donative dye precursor and an electron-accepting compound MITSUBISHI PAPER MILLS LIMITED (JP) 2003-07-22 US disclosed
US-6004899-A SURFACE TREATED WITH SILANE, TITANATE, AND/OR ALUMINUM COUPLING AGENT; PIGMENT; ERASIBILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1999-12-21 US disclosed
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