SCHEMBL29906340

SCHEMBL29906340

COC(=O)c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(C(=O)OC)s7)s6)cc5)cc(-c5ccc(-c6ccc(-c7ccc(C(=O)OC)s7)s6)cc5)c4)cc3)s2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KDM4E B2RXH2 6/20 0.50
HPGD P15428 4/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 2/20 0.46
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
TP53 P04637 1/20 0.45
HPGDS O60760 1/20 0.43

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
SCHEMBL27141132 0.97 RAB9A (0.54) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL6477476 0.90 KDM4E (0.58) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL2491378 0.85 RAB9A (0.72) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL1235256 0.84 LMNA (0.60) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL12348717 0.83 HSD17B1 (0.56) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL29906326 0.83 CA1 (0.50) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL497984 0.83 ESRRG (0.56) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL6805238 0.82 KDM4E (0.67) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL7259715 0.82 APP (0.53) RAB9AKMT2AMEN1POLBKDM4E
SCHEMBL2550687 0.82 KDM4E (0.72) KDM4EHPGDNPC1SMN1; SMN2ALDH1A1

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