SCHEMBL13618095

SCHEMBL13618095

CSC(Sc1ccccc1)=C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
XBP1 P17861 2/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 1/20 0.51
CES2 O00748 11/20 0.45
CES1 P23141 10/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
PLIN1 O60240 1/20 0.36

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
SCHEMBL11455726 0.78 CES2 (0.57) ALDH1A1LMNAMAPTNPSR1XBP1
SCHEMBL2376839 0.73 MAPT (0.58) ALDH1A1LMNAMAPTNPSR1XBP1
SCHEMBL11449601 0.71 ALDH1A1 (0.59) ALDH1A1LMNAMAPTNPSR1XBP1
SCHEMBL5073645 0.71 CES2 (0.77) ALDH1A1LMNAMAPTNPSR1XBP1
SCHEMBL7992313 0.70 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPSR1XBP1
SCHEMBL31626728 0.68 ALDH1A1 (0.46) ALDH1A1MAPTRAB9AMAPK1CES2
SCHEMBL13618094 0.68 MEN1 (0.76) ALDH1A1LMNAMAPTNPSR1RAB9A
SCHEMBL24186412 0.68 CES2 (0.65) ALDH1A1LMNAMAPTNPSR1XBP1
Benzil SCHEMBL7549111 0.68 CES2 (0.70) ALDH1A1LMNAMAPTNPSR1RAB9A
SCHEMBL274958 0.68 TTR (0.49) ALDH1A1LMNAMAPTNPSR1RAB9A

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-2116527-A1 OXIME COMPOUND, PHOTOSENSITIVE COMPOSITION, COLOR FILTER, METHOD FOR PRODUCTION OF THE COLOR FILTER, AND LIQUID CRYSTAL DISPLAY ELEMENT FUJIFILM Corporation (JP) 2009-11-11 EP disclosed