SCHEMBL4852822

SCHEMBL4852822

C=CC(=O)NCCCOCCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.62
ZDHHC2 Q9UIJ5 1/20 0.62
TSHR P16473 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 5/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
TGM2 P21980 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4849315 0.93 ZDHHC20 (0.68) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL12328963 0.91 ZDHHC20 (0.57) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL4846067 0.89 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL5432342 0.89 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL19141793 0.89 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL24715024 0.89 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL9889645 0.89 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL5530407 0.89 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10053108 0.88 ZDHHC20 (0.56) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10932322 0.88 ZDHHC20 (0.71) ZDHHC20ZDHHC2TSHREPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329694-B2 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. (US) 2008-02-12 US claimed
US-7329694-B2 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. (US) 2008-02-12 US disclosed
US-20040201820-A1 Ocular lens JOHNSON & JOHNSON VISION CARE, INC. 2004-10-14 US disclosed
EP-1445641-A1 OCULAR LENS Johnson & Johnson Vision Care, Inc. (US) 2004-08-11 EP disclosed