SCHEMBL8231998

SCHEMBL8231998

O=C1OC2(c3ccccc3Oc3c2ccc2ccccc32)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
FTO Q9C0B1 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
HTT P42858 2/20 0.52
RECQL P46063 2/20 0.52
BLM P54132 2/20 0.52
PRMT1 Q99873 2/20 0.52
ACE2 Q9BYF1 2/20 0.52
GNG2 P59768 1/20 0.52
GNB1 P62873 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMAD3 P84022 1/20 0.52
CYP3A4 P08684 2/20 0.46
LMNA P02545 4/20 0.45
USP2 O75604 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CFTR P13569 1/20 0.45

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
SCHEMBL29814986 1.00 MAPT (0.52) MAPTMEN1KMT2AFTOTDP1
SCHEMBL16281973 0.92 GNG2 (0.61) MAPTMEN1KMT2AFTOTDP1
SCHEMBL31063767 0.88 FTO (0.73) MAPTMEN1KMT2AFTOTDP1
SCHEMBL31110329 0.85 FTO (0.65) MAPTMEN1KMT2AFTOTDP1
SCHEMBL31063709 0.81 DHFR (0.46) MAPTMEN1KMT2AFTOTDP1
SCHEMBL2879470 0.81 MEN1 (0.49) MAPTMEN1KMT2AFTOTDP1
SCHEMBL29486478 0.81 MEN1 (0.49) MAPTMEN1KMT2AFTOTDP1
SCHEMBL77954 0.81 MAPT (0.69) MAPTMEN1KMT2AFTOTDP1
SCHEMBL30004394 0.81 MAPT (0.69) MAPTMEN1KMT2AFTOTDP1
SCHEMBL29474194 0.81 MAPT (0.69) MAPTMEN1KMT2AFTOTDP1

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
EP-0971621-A1 CASSETTE FOR TONOMETRIC CALIBRATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-01-19 EP disclosed
WO-1998037800-A1 CASSETTE FOR TONOMETRIC CALIBRATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-03 WO disclosed