SCHEMBL14614554

SCHEMBL14614554

CCCc1cccc(-c2cc(OC)c(OC)c(OC)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
HTR7 P34969 2/20 0.47
HTR1A P08908 1/20 0.47
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43

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
SCHEMBL14157784 0.87 PTGS2 (0.58) MAOBHTR7HTR1APTGS2KDM4E
SCHEMBL4116736 0.82 MAOB (0.48) MAOBHTR7HTR1APTGS2KDM4E
SCHEMBL786754 0.82 PRKCI (0.49) MAOBPTGS2KDM4EALDH1A1ERN1
SCHEMBL196298 0.80 CTSS (0.51) HTR7
SCHEMBL30777855 0.80 CTSS (0.51) HTR7
SCHEMBL24005570 0.78 CTSS (0.50) HTR7PTGS2
SCHEMBL14382711 0.78 BACE1 (0.58) MAOB
SCHEMBL12881923 0.77 HTR7 (0.71) HTR7HTR1AHTR2AHTR2B
SCHEMBL5681800 0.77 DRD4 (0.62) HTR7KDM4EALDH1A1
SCHEMBL2500546 0.77 PTGS2 (0.68) PTGS2KDM4EALDH1A1SMN1; SMN2TUBB4A

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-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed