SCHEMBL4803372

SCHEMBL4803372

C[AlH]CC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CTSD P07339 1/20 0.42
CHRM2 P08172 2/20 0.42

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
SCHEMBL4802976 0.81 HSD11B1 (0.46) HSD11B1TDP1L3MBTL1HDAC3HDAC4
SCHEMBL4796755 0.78 HSD11B1 (0.44) HSD11B1TDP1L3MBTL1HDAC3HDAC4
SCHEMBL462447 0.77 CYP1A2 (0.66) HSD11B1TDP1L3MBTL1HDAC3HDAC4
SCHEMBL4799649 0.77 UBE2N (0.57) TDP1L3MBTL1CYP1A2MEN1KMT2A
SCHEMBL4797374 0.75 MEN1 (0.42) HSD11B1TDP1L3MBTL1CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL3647675 0.75 ALDH1A1 (0.64) HSD11B1TDP1L3MBTL1HDAC3HDAC4
SCHEMBL7613836 0.74 HSD11B1 (0.55) HSD11B1TDP1L3MBTL1HDAC3HDAC4
SCHEMBL11994163 0.73 HSD11B1 (0.50) HSD11B1TDP1L3MBTL1HDAC3HDAC4
SCHEMBL3654892 0.73 HSD11B1 (0.50) HSD11B1TDP1L3MBTL1HDAC3HDAC4
Diphenylacetic Acid SCHEMBL11774892 0.73 SRC (0.56) TDP1L3MBTL1HDAC3HDAC4HDAC1

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-7388059-B2 Ethylene polymer, catalyst for producing thereof and method for producing thereof JAPAN POLYETHYLENE CORPORATION (JP) 2008-06-17 US disclosed
US-20050288459-A1 Ethylene polymer, catalyst for producing thereof and method for producing thereof JAPAN POLYETHYLENE CORPORATION (JP) 2005-12-29 US disclosed