SCHEMBL7966933

SCHEMBL7966933

C=CC(=O)NCCCC(OCC)OCC

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.54
ZDHHC2 Q9UIJ5 1/20 0.54
EPHX1 P07099 1/20 0.44
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TGM2 P21980 13/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3273078 0.90 ZDHHC20 (0.49) ZDHHC20ZDHHC2EPHX1TSHRALDH1A1
SCHEMBL1070119 0.83 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10487232 0.82 ZDHHC20 (0.45) ZDHHC20ZDHHC2EPHX1TSHRALDH1A1
SCHEMBL9142404 0.81 ALDH1A1 (0.53) ZDHHC20ZDHHC2EPHX1ALDH1A1GAA
SCHEMBL9135855 0.81 EPHX1 (0.42) ZDHHC20ZDHHC2EPHX1GAAMEN1
SCHEMBL9142396 0.81 ALDH1A1 (0.53) ZDHHC20ZDHHC2EPHX1ALDH1A1GAA
SCHEMBL6062528 0.79 EPHX1 (0.48) EPHX1TSHRALDH1A1GAAMEN1
SCHEMBL3717942 0.79 EPHX1 (0.48) EPHX1TSHRGAAMEN1KMT2A
SCHEMBL1547403 0.79 KDM4E (0.50) EPHX1TSHRALDH1A1MAPK1GAA
SCHEMBL19619516 0.79 TSHR (0.45) ZDHHC20ZDHHC2EPHX1TSHRALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265509-B1 POLYVINYL ACETALS NOVARTIS AG (CH) 2001-07-24 US disclosed
EP-0807265-B1 CROSSLINKED POLYMERS NOVARTIS AG (CH) 2000-04-12 EP disclosed
US-5932674-A MOLDING MATERIALS; CONTACT LENSES NOVARTIS AG (CH) 1999-08-03 US disclosed
EP-0807265-A1 CROSSLINKED POLYMERS Novartis AG (CH) 1997-11-19 EP disclosed
WO-1996024074-A1 CROSSLINKED POLYMERS NOVARTIS AG (CH) 1996-08-08 WO disclosed