SCHEMBL7970054

SCHEMBL7970054

COc1cc2c(c(F)c1O)Oc1c(cc(OC)c(O)c1F)C21OC(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.40
GNB1 P62873 1/20 0.40
HTT P42858 4/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PRMT1 Q99873 2/20 0.39
THRB P10828 1/20 0.39
CDK2 P24941 1/20 0.39
CHAT P28329 1/20 0.39
BLVRB P30043 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL4921803 0.92 HTT (0.40) GNG2GNB1HTTLMNAMAPK1
SCHEMBL29831001 0.88 GNG2 (0.40) GNG2GNB1HTTLMNAMEN1
SCHEMBL345532 0.88 GNG2 (0.40) GNG2GNB1HTTLMNAMEN1
SCHEMBL3655680 0.86 GNG2 (0.43) GNG2GNB1HTTLMNAMEN1
SCHEMBL29353753 0.79 MEN1 (0.39) GNG2GNB1HTTLMNAMAPK1
SCHEMBL16118 0.79 MEN1 (0.39) GNG2GNB1HTTLMNAMAPK1
SCHEMBL29838713 0.79 MEN1 (0.39) GNG2GNB1HTTLMNAMAPK1
SCHEMBL16984106 0.78 GSTP1 (0.44) GNG2GNB1HTTLMNAMAPK1
SCHEMBL2319118 0.78 GNG2 (0.48) GNG2GNB1HTTLMNAMEN1
SCHEMBL1738599 0.75 MEN1 (0.33) GNG2GNB1HTTLMNAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229055-B1 SYNTHESIS OF FLUORINATED RESORCINOL WHICH IS USEFUL IN THE PREPARATION OF FLUORINATED FLUORESCEIN AND RHODOL DYES SUITABLE FOR USE AS TRACERS, LABELS, OR INTERMEDIATES MOLECULAR PROBES, INC. 2001-05-08 US disclosed
US-6162931-A Fluorinated xanthene derivatives MOLECULAR PROBES, INC. (US) 2000-12-19 US disclosed