SCHEMBL7822261

SCHEMBL7822261

CC(=O)[Hg]CC1Cc2cc3c(C)cc(=O)oc3c(C)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 1/20 0.41
UBE2N P61088 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MAOB P27338 3/20 0.39
MAOA P21397 3/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
HPGD P15428 4/20 0.37
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7825702 0.85 MAOA (0.40) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL7822726 0.85 MAOA (0.40) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL7824606 0.84 MAPT (0.31) MAPTHTTMAPK1TSHR
SCHEMBL7822499 0.81 MAOA (0.43) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL7483011 0.81 MAOA (0.43) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL7822484 0.79 MCL1 (0.41) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL11320599 0.78 MAOB (0.46) L3MBTL1KDM4EHSD17B10MAPTUBE2N
Iodide SCHEMBL7487937 0.78 MCL1 (0.41) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL9134783 0.76 MAOA (0.46) L3MBTL1KDM4EHSD17B10MAPTUBE2N
SCHEMBL7482522 0.76 L3MBTL1 (0.38) L3MBTL1KDM4EHSD17B10MAPTUBE2N

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-1133498-A2 AMINO-AND MERCURIO-SUBSTITUTED 4', 5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2001-09-19 EP claimed
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 claimed
WO-2000031081-A2 AMINO- AND MERCURIO-SUBSTITUTED 4',5'-DIHYDROPSORALENS AND THERAPEUTICAL USES THEREOF BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 2000-06-02 WO claimed
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