SCHEMBL29906326

SCHEMBL29906326

COC(=O)c1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(C(=O)OC)cc7)s6)cc5)cc(-c5ccc(-c6ccc(-c7ccc(C(=O)OC)cc7)s6)cc5)c4)cc3)s2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA14 Q9ULX7 4/20 0.50
PRF1 P14222 1/20 0.50
ERN1 O75460 3/20 0.49
EGFR P00533 1/20 0.49
CA7 P43166 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL16749645 0.87 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL10009170 0.87 CA1 (0.61) CA1CA2CA12CA9CA14
SCHEMBL29906340 0.83 RAB9A (0.51) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL27141132 0.83 RAB9A (0.54) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL27108460 0.83 ALDH1A1 (0.55) CA1CA2CA12CA9CA14
SCHEMBL28189889 0.82 EGFR (0.68) CA1CA2CA12CA9CA14
SCHEMBL2357473 0.81 PRF1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL13779210 0.81 PRF1 (0.49) CA1CA2CA12CA9CA14
SCHEMBL19387238 0.81 CA1 (0.70) CA1CA2CA12CA9CA14
Biphenyl Dimethyl Dicarboxylate SCHEMBL68521 0.81 CA1 (0.70) CA1CA2CA12CA9CA14

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