SCHEMBL29906336

SCHEMBL29906336

O=C(O)c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc(C(=O)O)s5)cc4)cc(-c4ccc(-c5ccc(C(=O)O)s5)cc4)c3)cc2)s1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.79
POLB P06746 2/20 0.79
MEN1 O00255 2/20 0.79
KMT2A Q03164 2/20 0.79
HPGDS O60760 1/20 0.64
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 2/20 0.61
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
NR4A2 P43354 1/20 0.54
HDAC1 Q13547 3/20 0.51
HDAC6 Q9UBN7 2/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
ERN1 O75460 1/20 0.49
HPGD P15428 1/20 0.49
IKBKB O14920 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL22068905 0.90 POLB (0.68) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL2491267 0.88 RAB9A (1.00) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL6260315 0.87 RAB9A (0.83) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL28788484 0.86 RAB9A (0.76) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL10963422 0.84 RAB9A (0.72) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL2083801 0.84 MEN1 (0.72) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL422509 0.84 RAB9A (0.72) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL1761545 0.83 RAB9A (0.92) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL4711536 0.82 RAB9A (0.70) RAB9APOLBMEN1KMT2AHPGDS
SCHEMBL3756385 0.82 POLB (0.70) RAB9APOLBMEN1KMT2AHPGDS

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-4326436-A1 MOF, MOF LINKERS AND MANUFACTURING METHOD THEREOF Universiteit Antwerpen (BE) 2024-02-28 EP disclosed
WO-2022223773-A1 MOF, MOF LINKERS AND MANUFACTURING METHOD THEREOF UNIVERSITEIT ANTWERPEN (BE) 2022-10-27 WO disclosed