SCHEMBL11710215

SCHEMBL11710215

CC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CO)CS[C@@H]12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.50
▸ HSD17B10 Q99714 6/20 0.50
▸ TDP1 Q9NUW8 6/20 0.50
▸ MAPT P10636 6/20 0.50
▸ HPGD P15428 5/20 0.50
▸ CYP3A4 P08684 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SLC15A2 Q16348 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ BLM P54132 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ CTDSP1 Q9GZU7 3/20 0.49
▸ KDM4E B2RXH2 5/20 0.48
▸ NR1I2 O75469 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48

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
SCHEMBL11710209 1.00 PTGS1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL4355038 0.91 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL4346431 0.91 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL4341952 0.91 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL4338697 0.91 PTGS1 (0.54) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL11692054 0.90 PTGS1 (0.69) PTGS1L3MBTL1HSD17B10TDP1MAPT
SCHEMBL11015972 0.89 TDP1 (0.59) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL1132359 0.89 TDP1 (0.59) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL9642504 0.89 TDP1 (0.59) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1
SCHEMBL7804219 0.89 TDP1 (0.59) PTGS1L3MBTL1ALDH1A1HSD17B10TDP1

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-4065620-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
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