SCHEMBL8614581

SCHEMBL8614581

CC(C)COC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
CA2 P00918 2/20 0.50
POLB P06746 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ELANE P08246 2/20 0.45
MMP3 P08254 2/20 0.45
NAMPT P43490 2/20 0.45
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP14 P50281 2/20 0.42
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 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
SCHEMBL8613949 0.89 GAA (0.51) HTR2ACA2POLBMAPTPKM
SCHEMBL8612386 0.85 HTR2A (0.48) HTR2ACA2POLBMAPTPKM
SCHEMBL8611733 0.84 HTR2A (0.47) HTR2ACA2POLBMAPTPKM
SCHEMBL16702992 0.84 CA2 (0.50) HTR2ACA2POLBMAPTPKM
SCHEMBL8612751 0.83 HTR2A (0.61) HTR2APOLBMAPTPKMNAMPT
SCHEMBL8614257 0.81 ALDH1A1 (0.46) HTR2ACA2POLBMAPTPKM
SCHEMBL8615079 0.80 ELANE (0.53) HTR2ACA2POLBMAPTPKM
SCHEMBL930312 0.79 PKM (0.58) POLBMAPTPKMELANEMMP3
SCHEMBL10969778 0.79 CA2 (0.61) CA2POLBMAPTPKMELANE
SCHEMBL16395052 0.77 GAA (0.61) CA2POLBMAPTPKMELANE

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-0605149-B1 Recording sheet JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
US-5482913-A CARBONATE TYPE BLOCKED COLOR DEVELOPER, LASER RECORDING NIPPON PAPER INDUSTRIES, CO., LTD. (JP) 1996-01-09 US disclosed
EP-0605149-A2 Recording sheet NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-07-06 EP disclosed