SCHEMBL30056082

SCHEMBL30056082

CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)N1CCC[C@@H](C(=O)O)C1.COC(=O)[C@@H]1CCCN(C(=O)C(C)Oc2ccc3c(-c4ccccc4)cc(=O)oc3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.62
▸ HPGD P15428 9/20 0.56
▸ ALDH1A1 P00352 9/20 0.56
▸ KDM4E B2RXH2 7/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ HTT P42858 4/20 0.56
▸ MAPT P10636 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ RECQL P46063 2/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ LMNA P02545 2/20 0.45
▸ USP2 O75604 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL21629650 0.98 RAB9A (0.65) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629559 0.98 RAB9A (0.65) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629635 0.98 RAB9A (0.65) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629511 0.95 RAB9A (0.68) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629548 0.95 RAB9A (0.68) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629522 0.95 RAB9A (0.68) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629546 0.95 RAB9A (0.68) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21629626 0.89 RAB9A (0.62) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL31089640 0.89 RAB9A (0.62) RAB9AHPGDALDH1A1KDM4EKMT2A
SCHEMBL21648250 0.89 RAB9A (0.62) RAB9AHPGDALDH1A1KDM4EKMT2A

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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