SCHEMBL11222477

SCHEMBL11222477

CCC(=O)O/C=C1/S[C@@H]2C(NC(=O)COc3ccccc3)C(=O)N2C(C(=O)O)=C1C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ SPOP O43791 1/20 0.38

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
SCHEMBL11222480 1.00 CTDSP1 (0.48) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11222250 0.91 L3MBTL1 (0.51) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11222254 0.91 L3MBTL1 (0.51) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11232482 0.88 CTDSP1 (0.49) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11232477 0.88 CTDSP1 (0.49) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11078737 0.84 CTDSP1 (0.58) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11265118 0.81 CTDSP1 (0.56) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11265123 0.81 CTDSP1 (0.56) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11218232 0.80 L3MBTL1 (0.51) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL11218235 0.80 L3MBTL1 (0.51) CTDSP1L3MBTL1MAPK1TDP1ALDH1A1

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-4334064-A Cephalosporin vinyl halides ELI LILLY AND COMPANY (US) 1982-06-08 — — US disclosed
US-4334063-A Cephalosporin vinyl halides ELI LILLY AND COMPANY (US) 1982-06-08 — — US disclosed
US-4299954-A MICROBIOCIDES ELI LILLY AND COMPANY (US) 1981-11-10 — — US disclosed
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