SCHEMBL878823

SCHEMBL878823

C#CC(=O)c1ccc(/C=C/C2=CC=CC2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
HDAC1 Q13547 2/20 0.33
MAPT P10636 1/20 0.33
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
SRD5A1 P18405 1/20 0.32
SRD5A2 P31213 1/20 0.32
PTPN1 P18031 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
F3 P13726 2/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
PRMT5 O14744 1/20 0.30
PRMT1 Q99873 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10673383 0.77 RARA (0.44) RAB9ASMN1; SMN2NPC1MAPTRARA
SCHEMBL878891 0.75 CYP2A6 (0.40) SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL878890 0.72 CYP2C19 (0.44) MAOBRAB9AMAPTALDH1A1HPGD
SCHEMBL8972692 0.71 CHAT (0.42) MAOBALDH1A1HPGD
SCHEMBL8972699 0.71 CHAT (0.42) MAOBALDH1A1HPGD
SCHEMBL9776467 0.70 TSHR (0.40) MAPTSRD5A2ALDH1A1HPGD
SCHEMBL10675772 0.67 HDAC8 (0.37) SMN1; SMN2HPGD
SCHEMBL9125251 0.65 ALDH1A1 (0.54) RAB9ASMN1; SMN2NPC1HDAC1MAPT
SCHEMBL28631743 0.65 MAPT (0.48) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL183861 0.64 HCAR2 (0.39) SMN1; SMN2HDAC1MAPTPTPN1HDAC6

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