SCHEMBL7524027

SCHEMBL7524027

CCCn1cc(C2(c3cn(CCC)c4ccccc34)OC(=O)c3ccccc32)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.56
GAA P10253 2/20 0.56
SI P14410 2/20 0.56
MGAM2 Q2M2H8 2/20 0.56
CNR2 P34972 8/20 0.44
CNR1 P21554 6/20 0.44
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43
CYP3A4 P08684 2/20 0.42
POLB P06746 3/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
ALOX12 P18054 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 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
SCHEMBL3231367 0.93 GAA (0.58) MGAMGAASIMGAM2CNR2
SCHEMBL13828558 0.90 MGAM (0.53) MGAMGAASIMGAM2CNR2
SCHEMBL12675367 0.86 MGAM (0.49) MGAMGAASIMGAM2CNR2
SCHEMBL9707218 0.82 GAA (0.51) MGAMGAASIMGAM2CFTR
SCHEMBL12591681 0.81 GAA (0.48) MGAMGAASIMGAM2CNR2
SCHEMBL15023493 0.76 CFTR (0.41) MGAMGAASIMGAM2CFTR
SCHEMBL14959963 0.76 ALDH1A1 (0.45) MGAMGAASIMGAM2CNR2
SCHEMBL3219184 0.75 LMNA (0.44) GAACNR2CNR1CFTRGOPC
SCHEMBL10659853 0.75 MAPT (0.43) CNR2CNR1CYP3A4POLBLMNA
SCHEMBL8014650 0.75 CFTR (0.50) GAACFTRGOPCCYP3A4POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897809-B1 A spontaneously colour changing type thermal sensitive recording medium JUJO PAPER CO LTD (JP) 2002-03-06 EP disclosed
US-6093678-A SUBSTRATE HAVING LAYER CONTAINING LEUCO DYE OF TRIPHENYLMETHANE AND REDDISH COLOR DEVELOPING LEUCO DYE AS PRECURSORS AND HYDROXYBENZOIC ACID ESTER AS ORGANIC COLOR DEVELOPER NIPPON PAPER INDUSTRIES CO. LTD. (JP) 2000-07-25 US disclosed
EP-0897809-A1 A spontaneously colour changing type thermal sensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1999-02-24 EP disclosed