SCHEMBL7200820

SCHEMBL7200820

CCCCCCCCCCCCCCCCCCOCC(=O)NCCOc1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.62
NR5A1 Q13285 1/20 0.57
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
ALDH1A1 P00352 1/20 0.50
PLA2G4B P0C869 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CNR2 P34972 5/20 0.47
CNR1 P21554 3/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL7196651 0.86 LTA4H (0.62) LTA4HNR5A1TSHRRECQLCNR2
SCHEMBL7199792 0.86 LTA4H (0.62) LTA4HNR5A1CNR2CNR1
SCHEMBL7748448 0.85 NR5A1 (0.60) LTA4HNR5A1TSHRRECQLPLA2G4B
SCHEMBL7194099 0.84 TSHR (0.59) LTA4HNR5A1TSHRRECQLALDH1A1
SCHEMBL7199958 0.84 TSHR (0.59) LTA4HNR5A1TSHRRECQLALDH1A1
SCHEMBL7197981 0.83 LTA4H (0.65) LTA4HNR5A1ALDH1A1CNR2CNR1
SCHEMBL7197833 0.83 LTA4H (0.65) LTA4HNR5A1ALDH1A1CNR2CNR1
SCHEMBL7194383 0.83 LTA4H (0.65) LTA4HNR5A1TSHR
SCHEMBL7192804 0.83 LTA4H (0.65) LTA4HNR5A1ALDH1A1CNR2CNR1
SCHEMBL7193302 0.83 LTA4H (0.64) 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