SCHEMBL10935950

SCHEMBL10935950

Cc1ccc(SCC2=C(C(=O)OC(c3ccccc3)c3ccccc3)N3C(=O)C(NC(=O)/C(=N\OCC(=O)OC(C)(C)C)c4cscn4)[C@H]3SC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.40
▸ PGR P06401 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPARG P37231 3/20 0.39
▸ SLC22A6 Q4U2R8 2/20 0.39
▸ SLC22A8 Q8TCC7 2/20 0.39
▸ SLC22A11 Q9NSA0 2/20 0.39
▸ CTDSP1 Q9GZU7 2/20 0.39
▸ DAO P14920 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ CYP2J2 P51589 1/20 0.38
▸ HSD17B10 Q99714 4/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL10935957 1.00 NR1I2 (0.40) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10939832 0.91 NR1I2 (0.48) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10939823 0.91 NR1I2 (0.48) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10936875 0.89 NR1I2 (0.38) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10936869 0.89 NR1I2 (0.38) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10939911 0.89 — —
SCHEMBL10939916 0.89 — —
SCHEMBL10937739 0.88 PTGS1 (0.42) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10937738 0.88 PTGS1 (0.42) NR1I2PGRKMT2APPARGSLC22A6
SCHEMBL10649189 0.86 TDP1 (0.39) NR1I2PGRKMT2APPARGSLC22A6

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-4499088-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-02-12 — — US disclosed
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