SCHEMBL6368706

SCHEMBL6368706

O=C(c1ccc(Oc2cccc(C#Cc3ccccc3)c2)cc1)c1ccc(Oc2cccc(C#Cc3cccc(Oc4ccc(C(=O)c5ccc(Oc6cccc(Oc7ccc(C(=O)c8ccc(Oc9cccc(C#Cc%10ccccc%10)c9)cc8)cc7)c6)cc5)cc4)c3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.58
POLB P06746 1/20 0.54
ALOX5 P09917 2/20 0.51
HAO1 Q9UJM8 2/20 0.50
AKR1C3 P42330 1/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 1/20 0.48
PARP10 Q53GL7 2/20 0.47
TNKS O95271 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP14 Q460N5 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
FURIN P09958 1/20 0.45

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
SCHEMBL13059383 0.98 SRD5A2 (0.57) SRD5A2POLBALOX5HAO1AKR1C3
SCHEMBL14129699 0.93 SRD5A2 (0.51) SRD5A2POLBALOX5HAO1LMNA
SCHEMBL9945720 0.93 PGR (0.54) SRD5A2POLBALOX5HAO1LMNA
SCHEMBL9945719 0.92 FFAR1 (0.52) SRD5A2POLBALOX5HAO1AKR1C3
SCHEMBL9945718 0.92 SRD5A2 (0.53) SRD5A2POLBALOX5HAO1AKR1C3
SCHEMBL6369244 0.92 SRD5A2 (0.53) SRD5A2POLBALOX5HAO1AKR1C3
SCHEMBL14129705 0.90 SRD5A2 (0.51) SRD5A2POLBALOX5HAO1AKR1C3
SCHEMBL9135237 0.89 SRD5A2 (0.68) SRD5A2POLBHAO1FFAR1PARP10
SCHEMBL10732308 0.88 AKR1C3 (0.54) SRD5A2POLBALOX5HAO1AKR1C3
SCHEMBL18159036 0.87 SRD5A2 (0.65) SRD5A2POLBHAO1FFAR1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8169882-B2 High density data storage medium, method and device INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-01 US disclosed