SCHEMBL30360855

SCHEMBL30360855

Cc1ccccc1-c1cc(=O)oc2cc(O[C@H](C)C(=O)N(C)C)ccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.59
▸ HPGD P15428 6/20 0.59
▸ AR P10275 1/20 0.55
▸ ALDH2 P05091 1/20 0.53
▸ KDM4E B2RXH2 6/20 0.52
▸ RECQL P46063 2/20 0.52
▸ IGLV6-57 P01721 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ KCNA3 P22001 1/20 0.46

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
SCHEMBL20839406 1.00 ALDH1A1 (0.59) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL20839115 1.00 ALDH1A1 (0.59) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL31622307 1.00 ALDH1A1 (0.59) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL30055780 1.00 ALDH1A1 (0.59) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL20839429 0.88 ALDH1A1 (0.58) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL20839101 0.88 ALDH1A1 (0.58) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL30360940 0.88 ALDH1A1 (0.58) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL20839103 0.88 ALDH1A1 (0.58) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL30360898 0.88 ALDH1A1 (0.58) ALDH1A1HPGDARALDH2KDM4E
SCHEMBL20839059 0.88 ALDH1A1 (0.77) ALDH1A1HPGDARALDH2KDM4E

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
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 claimed
EP-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP 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-3684762-B1 COUMARIN DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF FOR THE TREATMENT OF CANCER LEAD DISCOVERY CENTER GMBH (DE) 2023-05-03 — — EP disclosed
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