SCHEMBL5634063

SCHEMBL5634063

c1cc(COc2ccc(-c3ccc(OCCCCC4CO4)cc3)cc2)ccc1COc1ccc(-c2ccc(OCCCCC3CO3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.40
APP P05067 3/20 0.40
FFAR1 O14842 1/20 0.38
MGLL Q99685 1/20 0.38
FDFT1 P37268 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
ACACB O00763 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL2718081 0.91 HRH3 (0.44) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2833284 0.91 HRH3 (0.44) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2720901 0.89 HRH3 (0.42) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2720688 0.89 HRH3 (0.42) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2718715 0.89 HRH3 (0.42) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5634014 0.89 F2 (0.40) GSTP1FFAR1MGLLFDFT1HRH3
SCHEMBL5686926 0.88 HRH3 (0.43) FFAR1MGLLHRH3MEN1KMT2A
SCHEMBL8541225 0.87 MGLL (0.50) MGLLACACBHDAC6MEN1KMT2A
SCHEMBL27670580 0.86 NR5A1 (0.47) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL2719716 0.85 TDP1 (0.44) HRH3MEN1KMT2A

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-7279574-B2 Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-10-09 US disclosed
US-20060159929-A1 Epoxy compound and cured epoxy resin product HITACHI, LTD. (JP) 2006-07-20 US disclosed