SCHEMBL10490308

SCHEMBL10490308

C/C=C\C1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\O)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
▸ USP2 O75604 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ PTGS1 P23219 2/20 0.71
▸ TDP1 Q9NUW8 8/20 0.61
▸ ABCC4 O15439 2/20 0.61
▸ CNR1 P21554 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ APEX1 P27695 3/20 0.53
▸ APAF1 O14727 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PLCG1 P19174 1/20 0.53
▸ ABCC2 Q92887 1/20 0.53
▸ SIRT5 Q9NXA8 1/20 0.53
▸ PSMD14 O00487 1/20 0.53

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
SCHEMBL10490089 1.00 MAPT (0.71) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10813918 1.00 MAPT (0.71) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10490304 1.00 MAPT (0.71) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10490090 1.00 MAPT (0.71) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10813924 1.00 MAPT (0.71) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10794220 0.93 PTGS1 (0.82) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10798721 0.93 PTGS1 (0.82) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10793827 0.93 PTGS1 (0.82) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10798727 0.93 PTGS1 (0.82) MAPTFAPALDH1A1USP2CYP3A4
SCHEMBL10794229 0.93 PTGS1 (0.82) MAPTFAPALDH1A1USP2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US claimed
US-4874856-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1989-10-17 — — US disclosed
US-4708955-A ANTIBACTERIALS BRISTOL-MYERS COMPANY (US) 1987-11-24 — — US disclosed
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