SCHEMBL11688909

SCHEMBL11688909

CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(NC(=O)NC(=N)N)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.71
▸ L3MBTL1 Q9Y468 3/20 0.64
▸ TDP1 Q9NUW8 5/20 0.61
▸ MAPT P10636 6/20 0.56
▸ NR1I2 O75469 3/20 0.56
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ DNMT1 P26358 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56
▸ SLC22A11 Q9NSA0 1/20 0.56
▸ ESR1 P03372 1/20 0.53
▸ PGR P06401 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ KDR P35968 1/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ POLB P06746 2/20 0.51
▸ HSD17B10 Q99714 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TSHR P16473 1/20 0.50

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
SCHEMBL11692533 1.00 PTGS1 (0.71) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11611784 0.91 PTGS1 (0.71) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11522271 0.90 PTGS1 (0.78) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11639331 0.90 PTGS1 (0.78) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11275658 0.90 PTGS1 (0.74) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11691308 0.89 PTGS1 (0.66) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11621175 0.89 PTGS1 (0.73) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11146919 0.89 PTGS1 (0.78) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11228887 0.87 PTGS1 (0.87) PTGS1L3MBTL1TDP1MAPTNR1I2
SCHEMBL11794315 0.87 PTGS1 (0.81) PTGS1L3MBTL1TDP1MAPTNR1I2

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-4039535-A PSEUDOMONAS ELI LILLY AND COMPANY (US) 1977-08-02 — — US disclosed
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