SCHEMBL8459003

SCHEMBL8459003

Cc1c(O)ccc2c1Oc1c(ccc(O)c1C)C21OC(=O)c2c(N)cccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNG2 P59768 1/20 0.47
GNB1 P62873 1/20 0.47
SMAD3 P84022 2/20 0.46
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
ALOX12 P18054 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TDP1 Q9NUW8 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRK6 P43250 1/20 0.35
PTPN11 Q06124 1/20 0.34
FTO Q9C0B1 2/20 0.34
DHFR P00374 2/20 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
SCHEMBL5763681 0.82 GNG2 (0.49) GNG2GNB1SMAD3MAPTLMNA
SCHEMBL27475402 0.81 GNG2 (0.43) GNG2GNB1SMAD3ESR1ESR2
SCHEMBL28572533 0.79 FTO (0.50) GNG2GNB1SMAD3MAPTLMNA
SCHEMBL2300312 0.79 GNG2 (0.74) GNG2GNB1SMAD3ESR1ESR2
SCHEMBL29756254 0.79 GNG2 (0.74) GNG2GNB1SMAD3ESR1ESR2
SCHEMBL8459986 0.77 FTO (0.60) GNG2GNB1SMAD3MAPTLMNA
SCHEMBL8459712 0.76 SMAD3 (0.42) GNG2GNB1SMAD3ESR1ESR2
SCHEMBL5396439 0.75 GNG2 (0.45) GNG2GNB1SMAD3MAPTLMNA
SCHEMBL7525821 0.75 FTO (0.48) GNG2GNB1SMAD3MAPTLMNA
SCHEMBL5764740 0.74 GNG2 (0.41) GNG2GNB1SMAD3ESR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5922612-A INDEPENDENT, REVERSIBLE FLUORESCENCE SPECTROMETRY OF SAMPLE USING TWO OPTICAL SENSORS COMPOSED OF A CARRIER EACH COATED WITH DIFFERENT WATER INSOLUBLE BUT HYDROPHILIC ADDITION POLYMER LOADED WITH THE SAME FLUORESCENT DYE NOVARTIS CORPORATION (US) 1999-07-13 US disclosed
EP-0758451-B1 OPTICAL SENSOR SYSTEM FOR DETERMINING pH VALUES AND IONIC STRENGTHS NOVARTIS AG (CH) 1999-01-20 EP disclosed
EP-0881241-A2 Copolymers and dyes for optical pH sensors Novartis AG (CH) 1998-12-02 EP disclosed
EP-0758451-A1 OPTICAL SENSOR SYSTEM FOR DETERMINING pH VALUES AND IONIC STRENGTHS Novartis AG (CH) 1997-02-19 EP disclosed
WO-1995030148-A1 OPTICAL SENSOR SYSTEM FOR DETERMINING pH VALUES AND IONIC STRENGTHS CIBA-GEIGY AG (CH) 1995-11-09 WO disclosed