SCHEMBL7198344

SCHEMBL7198344

CCCCCCCCCCCCCCCCCCNC(=O)NCNC(=O)COc1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
NR5A1 Q13285 1/20 0.46
EGFR P00533 10/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX1 P07099 2/20 0.44

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
SCHEMBL7198292 1.00 LTA4H (0.50) LTA4HTSHRRECQLNR5A1EGFR
SCHEMBL7201068 0.96 TSHR (0.52) TSHRRECQLNR5A1EGFREPHX1
SCHEMBL7196598 0.96 TSHR (0.52) TSHRRECQLNR5A1EGFREPHX1
SCHEMBL7194099 0.90 TSHR (0.59) LTA4HTSHRRECQLNR5A1EGFR
SCHEMBL7199958 0.90 TSHR (0.59) LTA4HTSHRRECQLNR5A1EGFR
SCHEMBL7197909 0.89 LTA4H (0.54) LTA4HTSHRRECQLNR5A1CYP1A2
SCHEMBL7197677 0.89 LTA4H (0.54) LTA4HTSHRRECQLNR5A1EGFR
SCHEMBL7197616 0.89 LTA4H (0.54) LTA4HTSHRRECQLNR5A1CYP1A2
SCHEMBL7200633 0.89 LTA4H (0.54) LTA4HNR5A1EPHX1
SCHEMBL7201663 0.88 LTA4H (0.56) LTA4HNR5A1

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 1 patent. 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