SCHEMBL9816539

SCHEMBL9816539

Cc1cc(O)c(C2CCCC2)cc1C(C)CC(c1cc(C2CCCC2)c(O)cc1C)c1cc(C2CCCC2)c(O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
LNPEP Q9UIQ6 1/20 0.34
CYP2D6 P10635 2/20 0.33
TP53 P04637 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSP90AA1 P07900 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
THRA P10827 2/20 0.31
THRB P10828 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGDR Q13258 1/20 0.30

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
SCHEMBL29706608 0.99 NUDT1 (0.37) NUDT1BACE1LNPEPCYP2D6TP53
SCHEMBL27626 0.99 NUDT1 (0.37) NUDT1BACE1LNPEPCYP2D6TP53
SCHEMBL30345205 0.99 NUDT1 (0.37) NUDT1BACE1LNPEPCYP2D6TP53
SCHEMBL29381715 0.99 NUDT1 (0.37) NUDT1BACE1LNPEPCYP2D6TP53
SCHEMBL10504547 0.93 NUDT1 (0.37) NUDT1BACE1LNPEPCYP2D6HSP90AA1
Phenol SCHEMBL8777717 0.91 NUDT1 (0.35) NUDT1BACE1LNPEPHSP90AA1PTGDR2
SCHEMBL16545631 0.90 NUDT1 (0.34) NUDT1BACE1LNPEPHSP90AA1PTGDR2
SCHEMBL3184220 0.90 NUDT1 (0.40) NUDT1BACE1LNPEPCYP2D6TP53
SCHEMBL8603037 0.89 ALOX15 (0.48) NUDT1BACE1LNPEPCYP2D6TP53
SCHEMBL8975998 0.89 LNPEP (0.39) NUDT1BACE1LNPEPCYP2D6TP53

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 6 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
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