SCHEMBL10793312

SCHEMBL10793312

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

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.78
▸ MAPT P10636 4/20 0.78
▸ FAP Q12884 2/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ USP2 O75604 1/20 0.78
▸ CYP3A4 P08684 1/20 0.78
▸ HPGD P15428 1/20 0.78
▸ NR1I2 O75469 5/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ ALB P02768 1/20 0.58
▸ PPARG P37231 1/20 0.58
▸ SLC22A6 Q4U2R8 1/20 0.58
▸ SLC22A8 Q8TCC7 1/20 0.58
▸ SLC22A11 Q9NSA0 1/20 0.58
▸ TDP1 Q9NUW8 6/20 0.56
▸ APEX1 P27695 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56

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
SCHEMBL10792195 1.00 PTGS1 (0.78) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10792200 1.00 PTGS1 (0.78) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10793319 1.00 PTGS1 (0.78) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10796258 0.95 PTGS1 (0.80) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10793357 0.95 PTGS1 (0.80) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10793823 0.95 PTGS1 (0.80) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10793817 0.95 PTGS1 (0.80) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10796251 0.95 PTGS1 (0.80) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10793351 0.95 PTGS1 (0.80) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10797851 0.93 PTGS1 (0.79) PTGS1MAPTFAPALDH1A1USP2

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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