SCHEMBL11280491

SCHEMBL11280491

O=CCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C2SC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CTDSP1 Q9GZU7 2/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 6/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SLC15A2 Q16348 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ NR1I2 O75469 2/20 0.41
▸ BLM P54132 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL10977606 0.88 PTGS1 (0.47) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL11281670 0.85 PTGS1 (0.48) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL10978448 0.84 ALDH1A1 (0.55) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL11285339 0.84 TDP1 (0.56) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL5673543 0.84 CTDSP1 (0.52) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL11285356 0.84 CTDSP1 (0.52) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL10948531 0.84 PTGS1 (0.44) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL11140459 0.83 CMA1 (0.36) PTGS1
SCHEMBL10557686 0.80 ALDH1A1 (0.41) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10
SCHEMBL11280645 0.80 ALDH1A1 (0.41) PTGS1L3MBTL1CTDSP1ALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US claimed
US-4365062-A BACTERICIDAL ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1982-12-21 — — US disclosed
US-4307230-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1981-12-22 — — US disclosed
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