SCHEMBL7748429

SCHEMBL7748429

CCCCCCCCCCCCCCCCC(C)OCC(=O)NC(=O)CCOc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.50
LTA4H P09960 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.42
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
PPARG P37231 2/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PPARA Q07869 1/20 0.40
PLA2G4B P0C869 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL7748401 0.86 NR5A1 (0.47) NR5A1LTA4HABCG2TP53TSHR
SCHEMBL7749239 0.84 NR5A1 (0.50) NR5A1LTA4HABCG2CNR1CNR2
SCHEMBL7201054 0.83 NR5A1 (0.64) NR5A1LTA4HTP53TSHRCNR1
SCHEMBL7743825 0.81 NR5A1 (0.49) NR5A1LTA4HTP53TSHRS1PR1
SCHEMBL7750954 0.81 NR5A1 (0.46) NR5A1LTA4HABCG2S1PR1S1PR3
SCHEMBL7743740 0.81 KDM4E (0.46) NR5A1LTA4HABCG2TSHRPLA2G4B
SCHEMBL7200665 0.80 LTA4H (0.64) NR5A1LTA4HTP53TSHRCNR1
SCHEMBL9489220 0.79 NR5A1 (0.71) NR5A1LTA4HABCG2TP53TSHR
SCHEMBL7201474 0.79 NR5A1 (0.71) NR5A1LTA4HTP53TSHRCNR1
SCHEMBL7743062 0.79 CNR2 (0.55) NR5A1LTA4HCNR1CNR2

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