SCHEMBL1919953

SCHEMBL1919953

C=C(CCOc1ccccc1CC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.54
MAPT P10636 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
LMNA P02545 1/20 0.47
LTB4R Q15722 3/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DHFR P00374 1/20 0.41

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
SCHEMBL1920428 0.84 L3MBTL1 (0.51) L3MBTL1MAPTNPSR1KDM4EMEN1
SCHEMBL11066410 0.84 KDM4E (0.60) MAPTKDM4EMEN1KMT2ALMNA
SCHEMBL15800965 0.80 L3MBTL1 (0.61) L3MBTL1MAPTNPSR1KDM4EMEN1
SCHEMBL9001338 0.79 MEN1 (0.54) L3MBTL1KDM4EMEN1KMT2AHPGD
SCHEMBL7520478 0.79 KDM4E (0.54) L3MBTL1MAPTKDM4EMEN1KMT2A
SCHEMBL156467 0.78 KDM4E (0.58) L3MBTL1KDM4EMEN1KMT2ALMNA
SCHEMBL10783529 0.77 L3MBTL1 (0.84) L3MBTL1MAPTNPSR1KDM4EMEN1
SCHEMBL1244995 0.77 KDM4E (0.58) KDM4EKMT2AHPGDATM
SCHEMBL10591123 0.77 PPARG (0.53) L3MBTL1MAPTNPSR1KDM4EMEN1
SCHEMBL11068263 0.77 KDM4E (0.59) L3MBTL1MAPTKDM4EKMT2ALMNA

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-2225325-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS ALCON INC (CH) 2011-06-01 EP claimed