SCHEMBL30788677

SCHEMBL30788677

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc1cccnc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 11/20 0.54
▸ FOLH1 Q04609 1/20 0.51
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 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
SCHEMBL30788675 0.92 CYP3A4 (0.47) CYP3A4FOLH1PAX8TDP1MMP1
SCHEMBL17232586 0.90 PAX8 (0.53) FOLH1PAX8TDP1MMP1MMP3
SCHEMBL17254230 0.90 PAX8 (0.53) FOLH1PAX8TDP1MMP1MMP3
SCHEMBL30876177 0.89 CYP3A4 (0.47) CYP3A4FOLH1PAX8TDP1MMP1
SCHEMBL31175432 0.87 KISS1R (0.53) PAX8TDP1
SCHEMBL29401136 0.84 CYP3A4 (0.44) CYP3A4
SCHEMBL21981320 0.84 REN (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL21981319 0.84 REN (0.53) PAX8TDP1MMP1MMP3MMP9
SCHEMBL17553458 0.83 PAX8 (0.52) PAX8TDP1MMP1MMP3MMP9
SCHEMBL1755615 0.83 TDP1 (0.61) PAX8TDP1MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510576-A Method for preparing palmitoyl tripeptide-38 富乐马鸿凯(大连)医药有限公司 2024-02-06 — — CN disclosed
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