SCHEMBL7197800

SCHEMBL7197800

CCCCCCCCCCCCCCCCCCN(CCc1ccc(O)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
ESR1 P03372 2/20 0.62
ADRA2A P08913 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
TACR2 P21452 2/20 0.62
SLC6A2 P23975 2/20 0.62
SLC6A4 P31645 2/20 0.62
SLC6A3 Q01959 2/20 0.62
KDM4E B2RXH2 1/20 0.62
LMNA P02545 1/20 0.62
SHBG P04278 1/20 0.62
TP53 P04637 1/20 0.62
CYP3A4 P08684 1/20 0.62
HSPD1 P10809 1/20 0.62
ADRB3 P13945 1/20 0.62
HTR2C P28335 1/20 0.62
HSPE1 P61604 1/20 0.62
HIF1A Q16665 1/20 0.62
TST Q16762 1/20 0.62
HSD17B10 Q99714 1/20 0.62

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
SCHEMBL7200876 0.95 ALDH1A1 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7196496 0.95 ALDH1A1 (0.69) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7196489 0.87 ESR1 (0.60) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7198063 0.87 ESR1 (0.60) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL8622041 0.84 ESR1 (0.57) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7197411 0.84 ESR1 (0.57) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7193617 0.82 ESR1 (0.54) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7262805 0.82 ESR1 (0.62) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7271343 0.82 ESR1 (0.62) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL7270486 0.82 ESR1 (0.62) 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 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