SCHEMBL7855653

SCHEMBL7855653

C=CCc1cc2c(c(CC=C)c1O)CCC(=O)N2Cc1ccc(CN2C(=O)CCc3c2cc(CC=C)c(O)c3CC=C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL7854334 0.93 PTGS1 (0.39) POLBEGLN1HDAC1HDAC8HDAC6
SCHEMBL7854244 0.92 MAPT (0.41) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7844774 0.92 PTGS1 (0.38) POLBEGLN1HDAC1HDAC8HDAC6
SCHEMBL7844769 0.91 HDAC1 (0.37) POLBEGLN1HDAC1HDAC8HDAC6
SCHEMBL7856424 0.89 ALDH1A1 (0.40) POLBEGLN1HDAC1HDAC8HDAC6
SCHEMBL7845505 0.84 KDM4E (0.32) MAPT
SCHEMBL7852293 0.84 KDM4E (0.37) POLBEGLN1LMNAMAPTMEN1
SCHEMBL7853643 0.84 KDM4E (0.32)
SCHEMBL7852043 0.83 MEN1 (0.35) EGLN1LMNAMEN1KMT2AALDH1A1
SCHEMBL7855481 0.82 MEN1 (0.34) EGLN1MEN1KMT2AALDH1A1TSHR

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
EP-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed