SCHEMBL5551001

SCHEMBL5551001

COC(=O)c1cc2ccc(OC)cc2c2c1C=CC(c1ccccc1)(c1cccs1)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 2/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
UBE2I P63279 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1848196 0.84 PLA2G2A (0.41) PLA2G2AMEN1KMT2AMAPTHPGD
SCHEMBL4798246 0.82 PLA2G2A (0.41) PLA2G2AMEN1KMT2AMAPTHPGD
SCHEMBL23800896 0.82 SLC16A3 (0.41) MEN1KMT2AMAPTHPGDNPC1
SCHEMBL29565491 0.82 SLC16A3 (0.41) MEN1KMT2AMAPTHPGDNPC1
SCHEMBL5551024 0.80 KMT2A (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5549293 0.80 MAPT (0.39) PLA2G2AMEN1KMT2AMAPTHPGD
SCHEMBL6131929 0.79 KMT2A (0.39) PLA2G2AMEN1KMT2AHPGDNPC1
SCHEMBL26290022 0.79 KDM4E (0.45) MEN1KMT2AMAPTHPGDKDM4E
SCHEMBL14629672 0.78 KMT2A (0.41) MEN1KMT2AMAPTHPGDNPC1
SCHEMBL6131938 0.77 DHODH (0.40) PLA2G2AMEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975619-B1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b] PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LTD (GB) 2007-01-03 EP disclosed
EP-0975619-A1 INTENSE COLOURING PHOTOCHROMIC 2$i(H)-NAPHTHO 1,2-$i(b)]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 2000-02-02 EP disclosed
WO-1998042695-A1 INTENSE COLOURING PHOTOCHROMIC 2H-NAPHTHO[1,2-b]PYRANS AND HETEROCYCLIC PYRANS JAMES ROBINSON LIMITED (GB) 1998-10-01 WO disclosed