SCHEMBL11265118

SCHEMBL11265118

CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44

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
SCHEMBL11265123 1.00 CTDSP1 (0.56) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11254351 0.91 CTDSP1 (0.51) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11254346 0.91 CTDSP1 (0.51) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11078737 0.90 CTDSP1 (0.58) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11258903 0.88 CTDSP1 (0.50) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11258900 0.88 CTDSP1 (0.50) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11267819 0.86 CTDSP1 (0.47) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11267825 0.86 CTDSP1 (0.47) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11256937 0.85 CTDSP1 (0.46) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL11256939 0.85 CTDSP1 (0.46) CTDSP1L3MBTL1MAPK1ALDH1A1LMNA

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-4070477-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1978-01-24 — — US claimed
US-4364865-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-12-21 — — US disclosed
US-4070477-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1978-01-24 — — US disclosed
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