SCHEMBL20146601

SCHEMBL20146601

C=CCOCCc1ccc(Oc2cccc(Oc3ccc(Oc4ccccc4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR1 O14842 4/20 0.43
BCHE P06276 1/20 0.43
FFAR4 Q5NUL3 3/20 0.42
LTA4H P09960 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 1/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
NLRP1 Q9C000 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL144596 0.81 MAPT (0.42) ALDH1A1TDP1L3MBTL1SMN1; SMN2MAPT
SCHEMBL11125764 0.78 FFAR1 (0.42) FFAR1HTTGAAMAPT
SCHEMBL5865593 0.78 BCHE (0.55) L3MBTL1FFAR1BCHEFFAR4LTA4H
SCHEMBL10823669 0.77 FFAR1 (0.45) ALDH1A1KDM4ETDP1ATML3MBTL1
Diphenylether SCHEMBL11667270 0.77 LTA4H (0.55) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL11696938 0.76 LTA4H (0.53) KDM4EMEN1KMT2ALTA4HSMN1; SMN2
SCHEMBL16768513 0.76 THRB (0.58) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL16768511 0.76 THRB (0.58) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL16768510 0.76 THRB (0.58) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL29890954 0.75 LTA4H (0.56) LTA4HSMN1; SMN2HTTPPARGGAA

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-3077016-B1 SOFT ACRYLIC MATERIALS WITH HIGH REFRACTIVE INDEX AND MINIMIZED GLISTENING NOVARTIS AG (CH) 2018-05-16 EP disclosed