SCHEMBL28545652

SCHEMBL28545652

Cc1ccccc1C(O)C(=O)O.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MAPK1 P28482 1/20 0.50
ACP3 P15309 1/20 0.46
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN7 P35236 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
HPGD P15428 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CYP2D6 P10635 1/20 0.37
SRC P12931 1/20 0.37
CES2 O00748 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
SCHEMBL538051 0.98 LMNA (0.52) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL168464 0.98 LMNA (0.52) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL168463 0.98 LMNA (0.52) LMNAMAPK1ACP3ESR1ALDH1A1
1,2-Dichlorobenzene SCHEMBL27641832 0.89 FABP4 (0.46) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL275598 0.82 LMNA (0.64) LMNAMAPK1ALDH1A1L3MBTL1POLB
SCHEMBL28143820 0.82 LMNA (0.43) LMNAMAPK1ACP3ALDH1A1L3MBTL1
SCHEMBL21552683 0.81 ESR1 (0.45) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL124623 0.81 ESR1 (0.45) LMNAMAPK1ACP3ESR1ALDH1A1
SCHEMBL27719983 0.81 ALDH1A1 (0.41) LMNAMAPK1ALDH1A1FABP4FABP5
SCHEMBL959019 0.80 CES2 (0.57) LMNAACP3ESR1ALDH1A1L3MBTL1

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-108368033-B Method for preparing trifloxystrobin GSP作物科学有限公司 2021-05-04 CN disclosed