SCHEMBL23712438

SCHEMBL23712438

CO/C=C(\C)Oc1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
BCHE P06276 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CYP1A2 P05177 1/20 0.37
AOC2 O75106 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL9977647 0.81 TSHR (0.42) ATMTDP1L3MBTL1TSHRMEN1
SCHEMBL14263874 0.81 TSHR (0.42) ATMTDP1L3MBTL1TSHRMEN1
SCHEMBL28950918 0.77 TDP1 (0.43) ATMTDP1L3MBTL1TSHRSMN1; SMN2
SCHEMBL217413 0.76 TSHR (0.45) ATMTDP1L3MBTL1TSHRMEN1
SCHEMBL23712495 0.76 LTA4H (0.41) TDP1L3MBTL1TSHRMEN1NPC1
SCHEMBL7693114 0.75 TDP1 (0.42) ATMTDP1L3MBTL1MEN1KMT2A
SCHEMBL7693116 0.75 TDP1 (0.42) ATMTDP1L3MBTL1MEN1KMT2A
SCHEMBL23712623 0.74 ALDH1A1 (0.38) MEN1KMT2ASMN1; SMN2CYP1A2MAOA
SCHEMBL23712641 0.74 LTA4H (0.40) ATMTDP1L3MBTL1MEN1KMT2A
SCHEMBL13508827 0.72 TSHR (0.42) ATMTDP1L3MBTL1TSHRMEN1

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-2021153782-A1 METHOD FOR CONTROLLING PHAKOPSORA PACHYRHIZI HAVING RESISTANCE AGAINST QoI FUNGICIDE 住友化学株式会社 2021-08-05 WO disclosed