SCHEMBL7748375

SCHEMBL7748375

CCCCCCCCCCCCCCCCC(C)OCCNC(=O)COc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
NR5A1 Q13285 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 2/20 0.43
HPGD P15428 1/20 0.41
CYP2D6 P10635 1/20 0.41
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7743740 0.92 KDM4E (0.46) TSHRRECQLNR5A1KDM4EALDH1A1
SCHEMBL7749306 0.92 TSHR (0.43) TSHRRECQLNR5A1KDM4EALDH1A1
SCHEMBL7749239 0.90 NR5A1 (0.50) NR5A1LTA4HHPGDCNR2CNR1
SCHEMBL7743062 0.89 CNR2 (0.55) NR5A1LTA4HHPGDCNR2CNR1
SCHEMBL7743717 0.87 NR5A1 (0.52) TSHRNR5A1ALDH1A1LTA4H
SCHEMBL7743736 0.87 NR5A1 (0.52) TSHRNR5A1ALDH1A1LTA4H
SCHEMBL7749113 0.86 NR5A1 (0.51) TSHRNR5A1SMN1; SMN2HTTLTA4H
SCHEMBL7743820 0.85 NR5A1 (0.53) TSHRNR5A1KDM4ESMN1; SMN2HTT
SCHEMBL7748401 0.85 NR5A1 (0.47) TSHRNR5A1LTA4HHPGDCNR2
SCHEMBL7750954 0.84 NR5A1 (0.46) NR5A1LTA4HHPGDCNR2CNR1

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-6184180-B1 COMPRISES SUPPORT, REVERSIBLE HEAT-SENSITIVE RECORDING LAYER CONTAINING DYE PRECURSOR WHICH IS COLORLESS OR A PALE COLOR, COLOR DEVELOPER CAPABLE OF CAUSING REVERSIBLE CHANGE IN COLOR DENSITY OF DYE DUE TO DIFFERENCE IN COOLING RATE MITSUBISHI PAPER MILLS LIMITED (JP) 2001-02-06 US disclosed