SCHEMBL16181512

SCHEMBL16181512

CCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NCl)C2SC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ SLC15A2 Q16348 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CTDSP1 Q9GZU7 2/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ADRA1A P35348 1/20 0.46

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
SCHEMBL18623606 0.91 PTGS1 (0.48) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL14074295 0.91 PTGS1 (0.48) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL14065427 0.87 TDP1 (0.61) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9477097 0.85 CTDSP1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL9477095 0.85 CTDSP1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11673058 0.84 CA5A (0.56) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11710209 0.83 PTGS1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11710215 0.83 PTGS1 (0.55) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL11674593 0.83 TDP1 (0.62) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT
SCHEMBL14065430 0.83 TDP1 (0.62) PTGS1L3MBTL1ALDH1A1HSD17B10MAPT

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-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 — — US disclosed
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