SCHEMBL8900285

SCHEMBL8900285

Cc1cc(O)c(C2CCCCC2)cc1CCC(c1cc(C2CCCCC2)c(O)cc1C)c1cc(C2CCCCC2)c(O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.38
BACE1 P56817 1/20 0.38
CYP2D6 P10635 2/20 0.36
TP53 P04637 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A2 P05177 1/20 0.34
MAPK1 P28482 1/20 0.34
HSP90AA1 P07900 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31

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
SCHEMBL9816553 0.99 CYP2D6 (0.37) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL4330848 0.89 NUDT1 (0.34) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL3180383 0.86 CYP2D6 (0.39) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL3151782 0.85 TP53 (0.51) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL5485645 0.84 NUDT1 (0.46) NUDT1BACE1CYP2D6CYP2C9CYP2C19
SCHEMBL3184220 0.83 NUDT1 (0.40) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL5481982 0.82 NUDT1 (0.39) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL29007729 0.80 NUDT1 (0.43) NUDT1BACE1HSP90AA1
SCHEMBL8975998 0.80 LNPEP (0.39) NUDT1BACE1CYP2D6TP53CYP2C9
SCHEMBL27626 0.78 NUDT1 (0.37) NUDT1BACE1CYP2D6TP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252691-B1 HEAT-SENSITIVE RECORD MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-09-18 EP claimed
US-4771033-A CHROMOGEN, PHENOL COMPOUND, ACIDIC ACCEPTOR ON A BASE SHEET KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-09-13 US claimed
EP-0252691-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1988-01-13 EP claimed
JP-9228292-A None JP disclosed
JP-H09228292-A RECORDING MEDIUM FOR WATER-SOLUBLE INK ASAHI DENKA KOGYO KK 1997-09-02 JP disclosed
EP-0252691-B1 HEAT-SENSITIVE RECORD MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1991-09-18 EP disclosed
US-4771033-A CHROMOGEN, PHENOL COMPOUND, ACIDIC ACCEPTOR ON A BASE SHEET KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1988-09-13 US disclosed
EP-0252691-A2 Heat-sensitive record material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1988-01-13 EP disclosed