SCHEMBL28522124

SCHEMBL28522124

COc1ccc(COC(C)C(O)c2ccccc2OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ADRA1A P35348 3/20 0.42
ADRA2A P08913 2/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCB1 P08183 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
CASR P41180 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL22474245 1.00 MEN1 (0.43) MEN1KMT2AADRA1AADRA2ACYP2D6
SCHEMBL17900530 1.00 MEN1 (0.43) MEN1KMT2AADRA1AADRA2ACYP2D6
SCHEMBL28565121 0.86 L3MBTL1 (0.45) MEN1KMT2ATDP1L3MBTL1CA1
SCHEMBL17894152 0.86 L3MBTL1 (0.45) MEN1KMT2ATDP1L3MBTL1CA1
SCHEMBL28514219 0.85 APLNR (0.46) MEN1KMT2AADRA1AADRA2ACYP2D6
SCHEMBL17900614 0.85 APLNR (0.46) MEN1KMT2AADRA1AADRA2ACYP2D6
SCHEMBL20626799 0.85 APLNR (0.46) MEN1KMT2AADRA1AADRA2ACYP2D6
SCHEMBL21440869 0.82 ATM (0.48) MEN1KMT2AATMTDP1CA1
SCHEMBL28508515 0.82 ATM (0.48) MEN1KMT2AATMTDP1CA1
SCHEMBL17896161 0.82 ATM (0.48) MEN1KMT2AATMTDP1CA1

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
CN-107205399-B Picolinamides as fungicides 美国陶氏益农公司 2021-01-29 CN disclosed