SCHEMBL9945720

SCHEMBL9945720

COc1cccc(C#Cc2cccc(Oc3ccc(C(=O)c4ccc(Oc5cccc(Oc6ccc(C(=O)c7ccc(Oc8cccc(C#Cc9ccccc9)c8)cc7)cc6)c5)cc4)cc3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.54
HAO1 Q9UJM8 2/20 0.54
FFAR1 O14842 1/20 0.53
SRD5A2 P31213 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 2/20 0.48
PTGES O14684 2/20 0.47
NPC1 O15118 1/20 0.47
ALOX5 P09917 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL14129699 0.97 SRD5A2 (0.51) PGRHAO1FFAR1SRD5A2MEN1
SCHEMBL6368706 0.93 SRD5A2 (0.58) HAO1FFAR1SRD5A2POLBALOX5
SCHEMBL12262025 0.92 PGR (0.55) PGRHAO1FFAR1SRD5A2MEN1
SCHEMBL13059383 0.92 SRD5A2 (0.57) HAO1FFAR1SRD5A2POLBALOX5
SCHEMBL6368727 0.91 MMP13 (0.52) PGRHAO1FFAR1MTNR1AMTNR1B
SCHEMBL9945719 0.88 FFAR1 (0.52) HAO1FFAR1SRD5A2MEN1KMT2A
SCHEMBL6369244 0.88 SRD5A2 (0.53) HAO1FFAR1SRD5A2POLBALOX5
SCHEMBL9945718 0.88 SRD5A2 (0.53) HAO1FFAR1SRD5A2POLBALOX5
SCHEMBL14129705 0.87 SRD5A2 (0.51) HAO1FFAR1SRD5A2POLBALOX5
SCHEMBL14096280 0.87 KCNK9 (0.63) PGRMEN1KMT2ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8488436-B2 High density data storage medium, method and device INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-07-16 US disclosed
US-20120147728-A1 HIGH DENSITY DATA STORAGE MEDIUM, METHOD AND DEVICE INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-06-14 US disclosed