SCHEMBL9016595

SCHEMBL9016595

COc1cc2sc(S)cc(=O)c2cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
STING1 Q86WV6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 5/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL7769678 0.76 MAPK1 (0.50) L3MBTL1KDM4EALDH1A1HPGDCYP3A4
SCHEMBL9016620 0.76 MAOA (0.44) MAOASTING1L3MBTL1KDM4EALDH1A1
SCHEMBL9016576 0.75 ELANE (0.34) STING1
SCHEMBL13518417 0.74 MAOA (0.50) MAOASTING1L3MBTL1KDM4EALDH1A1
SCHEMBL9016789 0.73 MAOA (0.41) MAOASTING1L3MBTL1KDM4EALDH1A1
SCHEMBL10713450 0.72 ALDH1A1 (0.57) MAOAKDM4EALDH1A1HPGDCYP3A4
SCHEMBL9016550 0.68 TSHR (0.41) CYP2C9CYP2C19CYP1A2
SCHEMBL7777304 0.66 ALDH1A1 (0.60) MAOAL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL31676772 0.66 NPC1 (0.67) MAOAL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL21624244 0.66 NPC1 (0.67) MAOAL3MBTL1KDM4EALDH1A1HPGD

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
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed