SCHEMBL10937738

SCHEMBL10937738

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CS[C@H]12)c1cscn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 3/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ NR1I2 O75469 4/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ TDP1 Q9NUW8 7/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ APEX1 P27695 3/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ MAPT P10636 4/20 0.40

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
SCHEMBL10937739 1.00 PTGS1 (0.42) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10644360 0.91 TDP1 (0.40) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10644366 0.91 TDP1 (0.40) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10675732 0.90 TDP1 (0.51) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10675734 0.90 TDP1 (0.51) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10649189 0.90 TDP1 (0.39) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL9481080 0.88 PTGS1 (0.44) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL9481088 0.88 PTGS1 (0.44) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10935950 0.88 NR1I2 (0.40) PTGS1ABCB11PDE4DCTDSP1NR1I2
SCHEMBL10935957 0.88 NR1I2 (0.40) PTGS1ABCB11PDE4DCTDSP1NR1I2

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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