SCHEMBL30056534

SCHEMBL30056534

CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N1CCCC1.CCOC(=O)C(C)(C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1.CCOC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 10/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ RECQL P46063 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ HPGD P15428 8/20 0.54
▸ KMT2A Q03164 3/20 0.48
▸ USP2 O75604 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL21629619 0.85 ALDH1A1 (0.72) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL31089779 0.84 ALDH1A1 (0.71) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL21629566 0.84 ALDH1A1 (0.71) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL21629512 0.84 ALDH1A1 (0.65) ALDH1A1KDM4ERECQLLMNAHTT
SCHEMBL21629555 0.83 ALDH1A1 (0.77) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL31089529 0.83 ALDH1A1 (0.77) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL21648246 0.83 ALDH1A1 (0.77) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL21629625 0.79 RAB9A (0.62) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL21629626 0.79 RAB9A (0.62) RAB9AALDH1A1KDM4ERECQLLMNA
SCHEMBL21648250 0.79 RAB9A (0.62) RAB9AALDH1A1KDM4ERECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333822-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION Lead Discovery Center GmbH (DE) 2024-03-13 — — EP claimed
WO-2022233782-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION LEAD DISCOVERY CENTER GMBH (DE) 2022-11-10 — — WO claimed
EP-4333822-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION Lead Discovery Center GmbH (DE) 2024-03-13 — — EP disclosed
WO-2022233782-A1 COMPOSITION COMPRISING AN INHIBITOR OF MITOCHONDRIAL TRANSCRIPTION LEAD DISCOVERY CENTER GMBH (DE) 2022-11-10 — — WO disclosed
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