SCHEMBL9830138

SCHEMBL9830138

CCCCc1ccc(C(=O)N[C@](O)(C(=O)O)[C@@H](C)CC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 3/20 0.54
▸ TRPV1 Q8NER1 2/20 0.51
▸ RARB P10826 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ HAO1 Q9UJM8 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PLK3 Q9H4B4 1/20 0.42

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
SCHEMBL9830134 1.00 PLK1 (0.54) PLK1TRPV1RARBKDM4EALDH1A1
SCHEMBL10659190 0.84 PPARG (0.52) PLK1NPC1RAB9ASMN1; SMN2
SCHEMBL9828728 0.82 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL9828729 0.82 ALDH1A1 (0.48) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL24534839 0.79 PLK1 (0.59) PLK1TRPV1RARBKDM4EALDH1A1
SCHEMBL24534825 0.74 PLK1 (0.56) PLK1TRPV1RARBALDH1A1THRA
SCHEMBL24534804 0.74 RARB (0.54) PLK1TRPV1RARBALDH1A1THRA
SCHEMBL6958590 0.71 PLK1 (1.00) PLK1TRPV1RARBKDM4EALDH1A1
SCHEMBL6919330 0.71 PLK1 (0.74) PLK1TRPV1RARBKDM4ETHRA
SCHEMBL19443009 0.71 PLK1 (0.74) PLK1TRPV1RARBKDM4EALDH1A1

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
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 — — EP disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 — — EP disclosed
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