SCHEMBL851367

SCHEMBL851367

C#CC(=O)c1cccc(-c2cc(C)cc(C(=O)c3ccccc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CNR1 P21554 1/20 0.51
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DHODH Q02127 2/20 0.42
KMO O15229 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
SYK P43405 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC2 Q92769 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
SCHEMBL15178731 0.80 DHODH (0.55) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL21845654 0.79 ATM (0.59) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL883653 0.77 CNR2 (0.71) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL134233 0.77 DHODH (0.54) CNR2CNR1DHODHKMOALDH1A1
SCHEMBL3156993 0.77 PARP1 (0.57) TDP1POLBHDAC8SMN1; SMN2
Hydrochloric Acid SCHEMBL27634977 0.75 HSD17B1 (0.53) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL12551733 0.75 ATM (0.68) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL15686210 0.75 ATM (0.67) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL14286947 0.75 ALDH1A1 (0.64) CNR2CNR1ATMTDP1L3MBTL1
SCHEMBL10052390 0.74 CNR2 (0.60) CNR2CNR1ATMTDP1L3MBTL1

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-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed