SCHEMBL28902003

SCHEMBL28902003

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccc(C(=O)O)cc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.57
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PAX8 Q06710 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ PTPN1 P18031 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.43
▸ PSMB8 P28062 1/20 0.42
▸ PSMB9 P28065 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ CTSD P07339 1/20 0.41

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
SCHEMBL28902005 1.00 FOLH1 (0.57) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL19065187 0.92 FOLH1 (0.56) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL29728337 0.88 FOLH1 (0.74) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL23849705 0.88 FOLH1 (0.56) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL19065231 0.88 FOLH1 (0.56) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL22590164 0.86 FOLH1 (0.61) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL19065181 0.86 FOLH1 (0.64) FOLH1MEN1ALDH1A1LMNAKMT2A
SCHEMBL31514312 0.86 FOLH1 (0.51) FOLH1PAX8TDP1PTPN1
SCHEMBL31514301 0.86 FOLH1 (0.51) FOLH1PAX8TDP1PTPN1
SCHEMBL19065267 0.86 FOLH1 (0.60) FOLH1MEN1ALDH1A1LMNAKMT2A

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-114364405-A Prostate Specific Membrane Antigen (PSMA) inhibitors as diagnostic agents and radionuclide therapeutics 五一一制药股份有限公司 2022-04-15 — — CN disclosed
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