SCHEMBL10798740

SCHEMBL10798740

C/C=C\C1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OCC)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.71
▸ FAP Q12884 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ PTGS1 P23219 2/20 0.71
▸ USP2 O75604 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ TDP1 Q9NUW8 8/20 0.58
▸ APEX1 P27695 3/20 0.58
▸ APAF1 O14727 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ PLCG1 P19174 1/20 0.58
▸ ABCC2 Q92887 1/20 0.58
▸ SIRT5 Q9NXA8 1/20 0.58
▸ PSMD14 O00487 1/20 0.57
▸ MMP2 P08253 1/20 0.57
▸ NR1I2 O75469 5/20 0.52
▸ PPARG P37231 2/20 0.52

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
SCHEMBL10797356 0.94 MAPT (0.69) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10797360 0.94 MAPT (0.69) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10793296 0.93 MAPT (0.70) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10793289 0.93 MAPT (0.70) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10794220 0.93 PTGS1 (0.82) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10798721 0.93 PTGS1 (0.82) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10794229 0.93 PTGS1 (0.82) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10793827 0.93 PTGS1 (0.82) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10798727 0.93 PTGS1 (0.82) MAPTFAPALDH1A1PTGS1USP2
SCHEMBL10793833 0.93 PTGS1 (0.82) MAPTFAPALDH1A1PTGS1USP2

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-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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