SCHEMBL9840543

SCHEMBL9840543

CC(C)(C)OC(=O)COC(=O)C1=C(/C=C\c2csnn2)CS[C@H]2C(NC(=O)/C(=N\O)c3csc(N)n3)C(=O)N12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ FAP Q12884 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TDP1 Q9NUW8 7/20 0.55
▸ ABCC4 O15439 2/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ PTGS1 P23219 2/20 0.52
▸ APEX1 P27695 3/20 0.50
▸ APAF1 O14727 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLCG1 P19174 1/20 0.50
▸ ABCC2 Q92887 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ PSMD14 O00487 1/20 0.49

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
SCHEMBL9840085 0.90 MAPT (0.67) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9840228 0.90 MAPT (0.67) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9840081 0.90 MAPT (0.67) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9840233 0.90 MAPT (0.67) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9838737 0.89 MAPT (0.59) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9838776 0.89 MAPT (0.59) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9838736 0.89 MAPT (0.59) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL9838773 0.89 MAPT (0.59) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL10526898 0.88 TDP1 (0.71) MAPTALDH1A1FAPUSP2CYP3A4
SCHEMBL10528604 0.88 TDP1 (0.71) MAPTALDH1A1FAPUSP2CYP3A4

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
US-5073551-A Antibiotics SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-12-17 — — US disclosed
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