SCHEMBL8399604

SCHEMBL8399604

COc1ccc(-c2coc(-c3ccc(OC)cc3)n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.84
ENPP1 P22413 2/20 0.84
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
S1PR1 P21453 2/20 0.50
S1PR3 Q99500 1/20 0.50
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KMT2A Q03164 1/20 0.47
PDE4B Q07343 2/20 0.47
PDE4D Q08499 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL5836271 0.89 ENPP3 (0.89) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL1608482 0.89 ENPP3 (0.69) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL16378628 0.87 ENPP3 (0.70) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL7215190 0.87 ENPP3 (0.70) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL1177949 0.86 ENPP3 (0.74) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL16378629 0.85 ENPP3 (0.64) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL7220934 0.85 ENPP3 (0.64) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL201523 0.81 ENPP3 (0.96) ENPP3ENPP1NPC1RAB9ASMN1; SMN2
SCHEMBL5959952 0.81 ENPP3 (0.68) ENPP3ENPP1HDAC1HDAC8HDAC6
SCHEMBL28487834 0.80 ENPP3 (0.65) ENPP3ENPP1NPC1RAB9AKMT2A

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-0878883-B1 Article comprising an organic laser LUCENT TECHNOLOGIES INC (US) 1999-06-16 EP disclosed
EP-0878883-A1 Article comprising an organic laser LUCENT TECHNOLOGIES INC. (US) 1998-11-18 EP disclosed