SCHEMBL10792786

SCHEMBL10792786

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(/C=C\COC(C)=O)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.62
▸ MAPT P10636 4/20 0.62
▸ ALB P02768 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ SLC22A6 Q4U2R8 1/20 0.62
▸ SLC22A8 Q8TCC7 1/20 0.62
▸ SLC22A11 Q9NSA0 1/20 0.62
▸ TDP1 Q9NUW8 6/20 0.59
▸ APEX1 P27695 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ L3MBTL1 Q9Y468 2/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ USP2 O75604 1/20 0.57

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
SCHEMBL10793836 1.00 NR1I2 (0.62) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10793834 1.00 NR1I2 (0.62) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10792780 1.00 NR1I2 (0.62) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10793269 0.92 NR1I2 (0.60) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10797301 0.92 NR1I2 (0.60) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10793265 0.92 NR1I2 (0.60) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10797292 0.92 NR1I2 (0.60) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL9662949 0.91 NR1I2 (0.53) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL9662943 0.91 NR1I2 (0.53) NR1I2MAPTALBPPARGSLC22A6
SCHEMBL10792856 0.90 PTGS1 (0.65) NR1I2MAPTALBPPARGSLC22A6

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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