SCHEMBL30057556

SCHEMBL30057556

CC(Oc1ccc2c(-c3ccccc3Cl)cc(=O)oc2c1)C(=O)N1CCCC(C)(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ HPGD P15428 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ AR P10275 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL20839354 1.00 RAB9A (0.49) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL30762981 0.92 CYP3A4 (0.45) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL29176078 0.91 RAB9A (0.45) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20839389 0.91 CYP3A4 (0.52) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL30056029 0.91 CYP3A4 (0.52) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20839124 0.90 ALDH1A1 (0.46) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL30055598 0.90 ALDH1A1 (0.46) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL30056205 0.90 CYP3A4 (0.46) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20839091 0.90 CYP3A4 (0.46) RAB9AALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20839376 0.87 ALDH1A1 (0.57) RAB9AALDH1A1HPGDKDM4ECYP3A4

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 5 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
CN-111386261-B Coumarin derivatives, process for their preparation and their use in the treatment of cancer 利德发现中心有限责任公司 2024-03-22 — — CN disclosed
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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