SCHEMBL7597572

SCHEMBL7597572

COCCOCCOC(=O)c1c2c(c3ccccc3c1-c1ccccc1)OC(c1ccccc1)(c1ccccc1)C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PADI4 Q9UM07 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7596981 1.00 TP53 (0.41) TP53TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL23800877 0.91 LMNA (0.34) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL30175143 0.91 LMNA (0.34) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL7596077 0.90 TSHR (0.36) TP53TSHRSMN1; SMN2KMT2ALMNA
SCHEMBL1332977 0.88 MGLL (0.34) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1332545 0.87 L3MBTL1 (0.35) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1332475 0.87 L3MBTL1 (0.35) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL1334130 0.87 L3MBTL1 (0.35) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL29565409 0.87 L3MBTL1 (0.35) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL29565416 0.87 L3MBTL1 (0.35) TP53SMN1; SMN2KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112264-B1 POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-11-27 EP claimed
US-5961892-A PHOTOCHROMIC PPG INDUSTRIES OHIO, INC. (US) 1999-10-05 US claimed
EP-1112264-B1 POLYALKOXYLATED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-11-27 EP disclosed
US-5961892-A PHOTOCHROMIC PPG INDUSTRIES OHIO, INC. (US) 1999-10-05 US disclosed