SCHEMBL9101266

SCHEMBL9101266

C#CC(O)(c1ccc2oc3ccccc3c2c1)c1ccccc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
HPGD P15428 11/20 0.41
KMT2A Q03164 9/20 0.41
MEN1 O00255 8/20 0.41
LMNA P02545 5/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 9/20 0.40
KDM4E B2RXH2 7/20 0.39
GAA P10253 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
HTT P42858 2/20 0.39
CYP2D6 P10635 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
SCHEMBL9101496 0.81 MEN1 (0.39) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL9100003 0.80 MAPT (0.42) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL11574544 0.75 ALDH1A1 (0.41) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL7489674 0.75 CA1 (0.46) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL30057200 0.74 MAPT (0.44) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL9258680 0.73 RAB9A (0.41) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL7552122 0.73 NFE2L2 (0.43) KMT2AMEN1ALDH1A1GAANPSR1
SCHEMBL7817042 0.71 ERN1 (0.39) MAPTKMT2AMEN1NPC1KDM4E
SCHEMBL31558552 0.71 NPC1 (0.50) MAPTHPGDKMT2AMEN1LMNA
SCHEMBL8718999 0.70 KMT2A (0.39) KMT2AMEN1LMNAPOLBALDH1A1

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
US-5552091-A PHOTOCHROMIC, LENSES PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed