SCHEMBL9102343

SCHEMBL9102343

O=Cc1c(O)ccc2oc3ccccc3c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.51
MAOA P21397 5/20 0.49
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KDM5A P29375 1/20 0.46
THRB P10828 1/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
PADI4 Q9UM07 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
PGAM1 P18669 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL1179868 0.76 MAOA (0.52) MAOAMGAMGAASIMGAM2
SCHEMBL21075000 0.76 MAOA (0.52) MAOAMGAMGAASIMGAM2
SCHEMBL9778972 0.75 KDM4E (0.45) ERN1MAOAMGAMGAASI
SCHEMBL1163384 0.74 KDM4E (0.51) ERN1MAOAMGAMGAASI
SCHEMBL4737860 0.73 KDM5A (0.59) MAOAGAAKDM4EKDM5ACA12
SCHEMBL3874433 0.73 MAOA (0.49) MAOAMGAMGAASIMGAM2
SCHEMBL20836043 0.73 MAOA (0.49) MAOAMGAMGAASIMGAM2
SCHEMBL8112121 0.73 MAOA (0.51) MAOAMGAMGAASIMGAM2
SCHEMBL16609363 0.73 MAOA (0.49) MAOAMGAMGAASIMGAM2
SCHEMBL5306184 0.73 MAOA (0.49) MAOAMGAMGAASIMGAM2

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-5552091-A PHOTOCHROMIC, LENSES PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed
WO-1994020869-A1 NOVEL BENZOPYRANS PPG INDUSTRIES, INC. (US) 1994-09-15 WO disclosed