SCHEMBL10873605

SCHEMBL10873605

CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=CCS[C@@H]12)c1cccc(NC=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.51
▸ PGR P06401 3/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ TDP1 Q9NUW8 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ SLC15A2 Q16348 1/20 0.42
▸ APAF1 O14727 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PLCG1 P19174 1/20 0.39
▸ ABCC2 Q92887 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PSMD14 O00487 2/20 0.39
▸ MMP2 P08253 2/20 0.39
▸ HTR2C P28335 1/20 0.36

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
SCHEMBL10828542 0.87 NR1I2 (0.65) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10828551 0.87 NR1I2 (0.65) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10420015 0.86 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10420013 0.86 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10646353 0.85 TDP1 (0.45) NR1I2PGRTDP1MAPTALDH1A1
SCHEMBL10646349 0.85 TDP1 (0.45) NR1I2PGRTDP1MAPTALDH1A1
SCHEMBL10647494 0.84 TDP1 (0.44) NR1I2PGRTDP1MAPTALDH1A1
SCHEMBL10647490 0.84 TDP1 (0.44) NR1I2PGRTDP1MAPTALDH1A1
SCHEMBL10466826 0.82 NR1I2 (0.47) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10466825 0.82 NR1I2 (0.47) NR1I2PGRPTGS2TDP1MAPT

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
EP-0191507-A2 New 2-oxyimino-3-oxobutyric acid derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 — — EP disclosed
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