SCHEMBL30762869

SCHEMBL30762869

CCNC(=O)C(C)Oc1ccc2c(-c3ccccc3C)cc(=O)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.56
▸ HPGD P15428 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH2 P05091 1/20 0.53
▸ AR P10275 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.52
▸ IGLV6-57 P01721 2/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL20839427 1.00 KMT2A (0.58) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL30762897 0.89 ALDH1A1 (0.55) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL20839444 0.89 ALDH1A1 (0.55) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL30762875 0.88 ALDH1A1 (0.58) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL20839413 0.88 ALDH1A1 (0.58) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL30763039 0.88 ALDH1A1 (0.58) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL20839109 0.88 ALDH1A1 (0.58) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL21629599 0.88 ALDH1A1 (0.74) KMT2AALDH1A1HPGDKDM4ELMNA
SCHEMBL20839098 0.86 ALDH1A1 (0.64) KMT2AALDH1A1HPGDKDM4EALDH2
SCHEMBL30231420 0.86 ALDH1A1 (0.48) KMT2AALDH1A1HPGDKDM4EALDH2

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
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
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
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