SCHEMBL4849807

SCHEMBL4849807

C=C(C)C(=O)NCCOCCOC(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 2/20 0.39
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL553153 0.91 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1EPHX2THRB
SCHEMBL18016179 0.87 MEN1 (0.50) KMT2AMEN1ALDH1A1EPHX2THRB
SCHEMBL13862904 0.87 MEN1 (0.50) KMT2AMEN1ALDH1A1EPHX2THRB
SCHEMBL12036308 0.85 MEN1 (0.47) KMT2AMEN1ALDH1A1EPHX2THRB
SCHEMBL1197607 0.84 ALDH1A1 (0.65) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL23841879 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL24811381 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL23175576 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL2608239 0.83 ALDH1A1 (0.58) KMT2AALDH1A1EPHX2SMN1; SMN2LMNA
SCHEMBL2608244 0.81 ALDH1A1 (0.57) KMT2AALDH1A1EPHX2SMN1; SMN2LMNA

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