SCHEMBL27670580

SCHEMBL27670580

Oc1ccc(-c2ccc(OCCCCC3CO3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.47
LTA4H P09960 3/20 0.45
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ESR2 Q92731 4/20 0.39
ESR1 P03372 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14075174 0.98 NR5A1 (0.50) NR5A1LTA4HHDAC3HDAC4HDAC1
SCHEMBL2718081 0.92 HRH3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2833284 0.92 HRH3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20963049 0.90 LTA4H (0.42) NR5A1LTA4HDRD2DRD4DRD3
SCHEMBL2720901 0.90 HRH3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2720688 0.90 HRH3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2718715 0.90 HRH3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14175713 0.90 LTA4H (0.49) NR5A1LTA4HHDAC6DRD2DRD4
SCHEMBL2836764 0.87 TDP1 (0.44) HRH3TDP1
SCHEMBL2719716 0.87 TDP1 (0.44) HRH3TDP1

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
CN-1835946-B Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL CO 2010-06-16 CN disclosed
CN-1835946-A Epoxy compound and cured epoxy resin product SUMITOMO CHEMICAL CO (JP) 2006-09-20 CN disclosed