SCHEMBL4846049

SCHEMBL4846049

C=C(C)C(=O)NCCCOCCC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 5/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 4/20 0.39
RECQL P46063 1/20 0.39
THRB P10828 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL26085057 0.98 ACHE (0.42) ACHEMMP9MMP8MMP14SMN1; SMN2
SCHEMBL24715032 0.93 EPHX2 (0.45) ACHEEPHX2TSHRTHRB
SCHEMBL4853585 0.93 SMN1; SMN2 (0.48) ACHEMMP9MMP8MMP14SMN1; SMN2
SCHEMBL24496157 0.93 ALDH1A1 (0.41) ACHEMMP9MMP8MMP14SMN1; SMN2
SCHEMBL5528349 0.91 THRB (0.41) ACHEMMP9MMP8MMP14SMN1; SMN2
SCHEMBL1123354 0.91 EPHX2 (0.44) ACHESMN1; SMN2EPHX2TSHRTHRB
SCHEMBL8949910 0.91 THRB (0.41) ACHEMMP9MMP8MMP14SMN1; SMN2
SCHEMBL5413785 0.91 ALDH1A1 (0.40) ACHEMMP9MMP8MMP14SMN1; SMN2
SCHEMBL4854125 0.89 THRB (0.44) ACHESMN1; SMN2EPHX2TSHRTHRB
SCHEMBL13862877 0.89 CYP2C19 (0.41) ACHEMMP9MMP8MMP14SMN1; SMN2

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-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-7208139-B2 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain SCHERING AG (DE) 2007-04-24 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