SCHEMBL16556880

SCHEMBL16556880

CCCCCCOc1ccc(N2c3ccccc3CCc3cc(/C=C(\C#N)C(=O)O)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.47
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PLIN1 O60240 1/20 0.40
▸ ABHD5 Q8WTS1 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ PLA2G4A P47712 1/20 0.38
▸ HTT P42858 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
SCHEMBL12307063 0.85 NAMPT (0.41) GAAMAPTALDH1A1NAMPTPLA2G4A
SCHEMBL16556881 0.82 EGFR (0.45) MEN1KMT2AGAAMAPTPLIN1
SCHEMBL29918400 0.79 PTGES (0.55) PTGESALDH1A1EGFRHPGD
SCHEMBL9360610 0.79 PTGES (0.55) PTGESALDH1A1EGFRHPGD
SCHEMBL9360606 0.79 PTGES (0.55) PTGESALDH1A1EGFRHPGD
SCHEMBL23572562 0.79 PTGES (0.55) PTGESALDH1A1EGFRHPGD
SCHEMBL9361312 0.79 PTGES (0.55) PTGESALDH1A1EGFRHPGD
SCHEMBL9361056 0.78 CISD1 (0.54) PTGESALDH1A1EGFRHPGD
SCHEMBL9361052 0.78 CISD1 (0.54) PTGESALDH1A1EGFRHPGD
SCHEMBL16488384 0.78 PTGES (0.42) PTGESSMN1; SMN2PLA2G4A

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
EP-2845882-A2 Dye, Photoelectric Conversion Element and Photoelectrochemical Cell Fujifilm Corporation (JP) 2015-03-11 — — EP disclosed
Send feedback