SCHEMBL9743715

SCHEMBL9743715

CC(C)(C)OC(=O)CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CI)CS[C@H]12)c1csc(NC=O)n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.41
▸ PPARG P37231 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ PTGS1 P23219 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ TDP1 Q9NUW8 7/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ APEX1 P27695 3/20 0.41
▸ APAF1 O14727 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ ABCC2 Q92887 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ HTR2C P28335 1/20 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
SCHEMBL9482468 0.92 PTGS1 (0.44) NR1I2PPARGESR1PTGS1PGR
SCHEMBL9482476 0.92 PTGS1 (0.44) NR1I2PPARGESR1PTGS1PGR
SCHEMBL9481080 0.91 PTGS1 (0.44) NR1I2PPARGESR1PTGS1PGR
SCHEMBL9481088 0.91 PTGS1 (0.44) NR1I2PPARGESR1PTGS1PGR
SCHEMBL8867976 0.90 KMT2A (0.43) NR1I2PPARGESR1PTGS1PGR
SCHEMBL8867986 0.90 KMT2A (0.43) NR1I2PPARGESR1PTGS1PGR
Iodide SCHEMBL9743725 0.89 PTGS1 (0.42) NR1I2PPARGESR1PTGS1PGR
Iodide SCHEMBL9481595 0.89 PTGS1 (0.42) NR1I2PPARGESR1PTGS1PGR
Iodide SCHEMBL10463738 0.89 PTGS1 (0.42) NR1I2PPARGESR1PTGS1PGR
SCHEMBL10985834 0.89 PTGS1 (0.44) NR1I2PPARGESR1PTGS1PGR

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-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 — — US disclosed
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