SCHEMBL29110930

SCHEMBL29110930

CCCCCOCc1cccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
RIPK1 Q13546 1/20 0.35
NR5A1 Q13285 1/20 0.35
TSHR P16473 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
IDO1 P14902 2/20 0.34
LTA4H P09960 2/20 0.34
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1010073 0.82 FFAR4 (0.36) FFAR4ALOX5APFEN1IDO1KMT2A
SCHEMBL20378904 0.80 FFAR4 (0.41) RIPK1FFAR4ALDH1A1
SCHEMBL5140181 0.80 IDO1 (0.45) RIPK1TSHRFFAR4ALOX5APFEN1
SCHEMBL6867167 0.77 IDO1 (0.37) RIPK1FFAR4ALOX5APFEN1IDO1
SCHEMBL1008279 0.77 FFAR4 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7781643 0.77 LIPG (0.47) RIPK1TSHRALOX5PTGS2MEN1
SCHEMBL27945643 0.77 L3MBTL1 (0.37) L3MBTL1TSHRLTA4HMEN1KMT2A
SCHEMBL6000380 0.77 L3MBTL1 (0.51) L3MBTL1HDAC6MEN1KMT2ATDP1
SCHEMBL29110929 0.76 L3MBTL1 (0.48) L3MBTL1TSHRLTA4HMEN1KMT2A
SCHEMBL27945647 0.75 MEN1 (0.38) L3MBTL1TSHRMEN1KMT2ASMN1; SMN2

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-110922306-B Synthesis process of 2, 3-difluoro-4-alkoxyl phenol 蚌埠中实化学技术有限公司 2023-09-29 CN disclosed