SCHEMBL7749306

SCHEMBL7749306

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
NR5A1 Q13285 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.38
LTA4H P09960 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 10/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL7748375 0.92 TSHR (0.51) TSHRRECQLNR5A1KDM4EALDH1A1
SCHEMBL7743740 0.91 KDM4E (0.46) TSHRRECQLNR5A1KDM4EALDH1A1
SCHEMBL7743717 0.88 NR5A1 (0.52) TSHRNR5A1ALDH1A1LTA4H
SCHEMBL7743736 0.88 NR5A1 (0.52) TSHRNR5A1ALDH1A1LTA4H
SCHEMBL7743820 0.86 NR5A1 (0.53) TSHRNR5A1KDM4ELTA4HHTT
SCHEMBL7201068 0.85 TSHR (0.52) TSHRRECQLNR5A1ALDH1A1EGFR
SCHEMBL7196598 0.85 TSHR (0.52) TSHRRECQLNR5A1ALDH1A1EGFR
SCHEMBL7749256 0.84 TSHR (0.44) TSHRRECQLNR5A1ALDH1A1LTA4H
SCHEMBL7748401 0.84 NR5A1 (0.47) TSHRNR5A1LTA4H
SCHEMBL7749156 0.83 TSHR (0.40) TSHRRECQLNR5A1KDM4ERAB9A

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