SCHEMBL6552992

SCHEMBL6552992

C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=Cc1ccc(OC(C)(C)Cc2ccc(C=COC(C)OC3CCCCC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
ELANE P08246 2/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP19A1 P11511 2/20 0.34
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6552990 0.92 CYP2C19 (0.38) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6552995 0.90 CYP2C19 (0.42) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6871803 0.82 POLB (0.30) MAPT
SCHEMBL6861956 0.80 PPARG (0.34) MAPT
SCHEMBL6862732 0.76 CYP2C19 (0.53) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL5702429 0.76 CYP2C19 (0.47) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6553308 0.76 CYP2C19 (0.41) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6883650 0.75 POLB (0.32) CYP2C19MAPTLMNA
SCHEMBL6555166 0.74 CYP2C19 (0.50) CYP2C19ELANEMAPTKDM4EGAA
SCHEMBL6863104 0.73 STAT3 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1059314-B1 A resist composition WAKO PURE CHEM IND LTD (JP) 2004-12-22 EP disclosed
US-6716573-B2 Resist Composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20030039920-A1 Resist composition WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-27 US disclosed
EP-1059314-A1 A resist composition Wako Pure Chemical Industries, Ltd. (JP) 2000-12-13 EP disclosed