SCHEMBL861970

SCHEMBL861970

CCCCCOC=CC(=O)c1ccc(C(=O)/C=C/OCCCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.50
PLA2G1B P04054 10/20 0.50
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RECQL P46063 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 1/20 0.45

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
SCHEMBL861969 1.00 ATG4B (0.50) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL861971 1.00 ATG4B (0.50) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL27550293 0.79 LMNA (0.51) CYP1A2TDP1RECQL
SCHEMBL5477920 0.76 HCAR2 (0.58) ATG4BPLA2G1B
SCHEMBL14680403 0.74 TP53 (0.65) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL729878 0.74 HCAR2 (0.59) TDP1TSHR
SCHEMBL14415089 0.74 HCAR2 (0.59) TDP1TSHR
SCHEMBL10670938 0.74 HCAR2 (0.59) TDP1TSHR
SCHEMBL28349553 0.73 HCAR2 (0.44) THRATHRBTSHR
SCHEMBL28432501 0.72 TP53 (0.61) THRATHRBABCG2TP53TSHR

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-8143465-B2 Soluble branched triaroylbenzene-based polymer and its synthetic method THE HONG KONG UNIVERSITY OF SCIENCE & TECHNOLOGY (CN) 2012-03-27 US disclosed
US-20060247410-A1 Soluble branched triaroylbenzene-based polymer and its synthetic method HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY, THE (HK) 2006-11-02 US disclosed