SCHEMBL21159417

SCHEMBL21159417

C#Cc1cc(/C=C\C)c(O)c(C(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.36
PTPN6 P29350 4/20 0.36
PTPN2 P17706 3/20 0.36
AKR1C2 P52895 3/20 0.35
AKR1C1 Q04828 3/20 0.35
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
AKR1C4 P17516 2/20 0.32
AKR1C3 P42330 2/20 0.32
HNF4A P41235 1/20 0.31
MEN1 O00255 1/20 0.31
PDE4A P27815 1/20 0.31
BLVRB P30043 1/20 0.31
KDR P35968 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
TAS2R14 Q9NYV8 1/20 0.31
APP P05067 4/20 0.31

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
SCHEMBL9349821 0.75 HMGB1 (0.53) AKR1C2AKR1C1HMGB1CXCL12AKR1C4
SCHEMBL29451088 0.73 AKR1C2 (0.40) PTPN1AKR1C2AKR1C1HMGB1CXCL12
SCHEMBL21122016 0.73 AKR1C2 (0.40) PTPN1AKR1C2AKR1C1HMGB1CXCL12
SCHEMBL9349088 0.72 ALDH1A1 (0.42) PTPN1PTPN6PTPN2AKR1C2AKR1C1
SCHEMBL11694249 0.69 AKR1C2 (0.48) PTPN1PTPN6PTPN2AKR1C2AKR1C1
SCHEMBL11130591 0.68 ALDH1A1 (0.53) PTPN1HMGB1HNF4AMEN1KMT2A
SCHEMBL11130587 0.68 ALDH1A1 (0.53) PTPN1HMGB1HNF4AMEN1KMT2A
SCHEMBL29030423 0.65 ALDH1A1 (0.52) PTPN1MEN1KMT2ATHRBCYP2C9
SCHEMBL2536166 0.64 HNF4A (0.62) PTPN1PTPN6PTPN2HNF4AMEN1
SCHEMBL28533609 0.64 AKR1C2 (0.41) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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
WO-2019135975-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS INC. (US) 2019-07-11 WO disclosed