SCHEMBL7824982

SCHEMBL7824982

C=CCc1cc2c(C)cc(=O)oc2c(C)c1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 11/20 0.55
GAA P10253 8/20 0.55
GLA P06280 6/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 6/20 0.47
HPGD P15428 6/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 7/20 0.45
MAPT P10636 5/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ALPG P10696 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL11196964 0.83 LMNA (0.60) LMNAHTTKDM4EGAAGLA
SCHEMBL5312406 0.81 KDM4E (0.68) LMNAKDM4EGAAGLAL3MBTL1
SCHEMBL7822490 0.79 LMNA (0.60) LMNAHTTKDM4EGAAGLA
SCHEMBL4386264 0.78 KDM4E (0.48) LMNAHTTKDM4EGAAGLA
SCHEMBL11552518 0.77 KDM4E (0.62) LMNAKDM4EGAAGLAL3MBTL1
SCHEMBL11384270 0.75 SRD5A1 (0.67) LMNAHTTKDM4EGAAGLA
SCHEMBL11081738 0.73 KDM4E (0.49) LMNAHTTKDM4EGAAGLA
SCHEMBL6993105 0.72 KDM4E (0.73) LMNAHTTKDM4EGAAGLA
SCHEMBL11081735 0.71 KDM4E (0.52) LMNAKDM4EGAAGLAHSD17B10
SCHEMBL7486500 0.70 KDM4E (0.51) LMNAHTTKDM4EGAAGLA

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-1133498-A2 AMINO-AND MERCURIO-SUBSTITUTED 4', 5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2001-09-19 EP disclosed
US-6255324-B1 MICROBIOCIDES; SKIN DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-07-03 US disclosed
WO-2000031081-A2 AMINO- AND MERCURIO-SUBSTITUTED 4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2000-06-02 WO disclosed