SCHEMBL29773063

SCHEMBL29773063

CC(C)OCCn1c(=S)n(COC(=O)CCNC(=O)OC(C)(C)C)c(=O)c2[nH]ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.45
▸ MPO P05164 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ PLK1 P53350 5/20 0.34
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL23225714 0.76 OPRM1 (0.48) OPRM1MPO
SCHEMBL27103572 0.76 OPRM1 (0.32) OPRM1MPOALDH1A1KDM4EMAPT
SCHEMBL23225676 0.75 MPO (0.42) OPRM1MPOALDH1A1KDM4EGLA
SCHEMBL23218012 0.74 MPO (0.55) OPRM1MPOALDH1A1GAAPLK1
SCHEMBL23225621 0.74 MPO (0.55) OPRM1MPOALDH1A1PLK1
SCHEMBL27102076 0.74 KDM4E (0.31) KDM4EGAA
SCHEMBL27103046 0.71 MPO (0.54) OPRM1MPOALDH1A1GAA
SCHEMBL23217931 0.71 OPRM1 (0.40) OPRM1MPOALDH1A1KDM4EGLA
SCHEMBL27102078 0.67 MPO (0.45) OPRM1MPOALDH1A1KDM4EMAPT
SCHEMBL29211240 0.64 MPO (0.52) OPRM1MPO

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
EP-4041735-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS Biohaven Therapeutics Ltd. (US) 2022-08-17 — — EP disclosed
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