SCHEMBL23712641

SCHEMBL23712641

CO/C=C(\C)Oc1cc(Cc2ccccc2)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.40
IDH1 O75874 1/20 0.39
LMNA P02545 1/20 0.38
CA2 P00918 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CFD P00746 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HNF4A P41235 1/20 0.35
MPO P05164 1/20 0.35
PTPN1 P18031 1/20 0.35
SLC22A12 Q96S37 1/20 0.35

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
SCHEMBL23712440 0.82 FFAR1 (0.44) LMNAMEN1MAPTKMT2ATDP1
SCHEMBL26418778 0.82 MPO (0.39) LTA4HLMNAMEN1MAPTKMT2A
SCHEMBL23712388 0.81 PKM (0.38) CA2MEN1MAPTKMT2AATM
SCHEMBL14769223 0.78 CA2 (0.57) LTA4HIDH1LMNACA2MAPT
SCHEMBL23712495 0.75 LTA4H (0.41) LTA4HMEN1MAPTKMT2ATDP1
SCHEMBL23712438 0.74 ATM (0.41) CA2MEN1MAPTKMT2AATM
SCHEMBL23712623 0.74 ALDH1A1 (0.38) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL23712380 0.74 PKM (0.36) MEN1MAPTKMT2AALDH1A1
SCHEMBL23712386 0.74 ATM (0.40) ATML3MBTL1ALDH1A1SLC22A12
SCHEMBL23712452 0.73 ALDH1A1 (0.47) MAPTKMT2ATDP1ALDH1A1

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