SCHEMBL30478996

SCHEMBL30478996

CC(Nc1cccc(C(=O)OC(C)(C)C)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.55
▸ RAB9A P51151 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ CASR P41180 2/20 0.44
▸ STAT3 P40763 1/20 0.42
▸ F2 P00734 4/20 0.41
▸ TMPRSS6 Q8IU80 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 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
SCHEMBL5090323 1.00 SLC7A5 (0.55) SLC7A5RAB9ANPC1MAPTHTT
SCHEMBL8176078 0.85 SLC7A5 (0.51) SLC7A5RAB9ANPC1MAPTHTT
SCHEMBL17513371 0.83 SLC7A5 (0.52) SLC7A5RAB9ANPC1MAPTHTT
SCHEMBL17513373 0.83 SLC7A5 (0.52) SLC7A5RAB9ANPC1MAPTHTT
SCHEMBL30479003 0.82 ABCG2 (0.45) SLC7A5RAB9ANPC1MAPTHTT
SCHEMBL31006729 0.81 ALDH1A1 (0.53) RAB9ANPC1MAPTSMN1; SMN2CASR
SCHEMBL17785165 0.79 KMT2A (0.58) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL17785164 0.79 KMT2A (0.58) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
Hydrogen Peroxide SCHEMBL27146001 0.78 SLC7A5 (0.60) SLC7A5RAB9AMAPTABCB1ABCG2
SCHEMBL11453059 0.78 PTGS1 (0.55) RAB9AMAPTHTTSMN1; SMN2ALDH1A1

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-116261458-B PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 — — CN disclosed
CN-116261458-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-13 — — CN disclosed
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