SCHEMBL18643192

SCHEMBL18643192

C=CC(=O)NCC(O)COCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9889644 0.87 TSHR (0.43) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL9889648 0.84 TSHR (0.41) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL22898883 0.83 CYP1A2 (0.35) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL28338477 0.83 ALDH1A1 (0.39) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL16379835 0.82 ZDHHC20 (0.46) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL20614051 0.81 TSHR (0.35) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL18755150 0.80 ALDH1A1 (0.37) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL9889695 0.79 TDP1 (0.37) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL18755126 0.78 CYP1A2 (0.41) TDP1ALDH1A1TSHRMAPK1ZDHHC20
SCHEMBL18755149 0.78 CYP1A2 (0.38) TDP1ALDH1A1TSHRMAPK1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705390-B2 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME JOHNSON & JOHNSON VISION CARE (US) 2023-11-15 EP disclosed
EP-3141933-B9 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME JOHNSON & JOHNSON VISION CARE (US) 2019-11-13 EP disclosed
EP-3141933-B1 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME JOHNSON & JOHNSON VISION CARE (US) 2019-05-22 EP disclosed
EP-3473662-A1 SILICONE HYDROGELS FORMED FROM ZERO DILUENT REACTIVE MIXTURES Johnson & Johnson Vision Care Inc. (US) 2019-04-24 EP disclosed
EP-2794724-B9 SILICONE HYDROGELS FORMED FROM ZERO DILUENT REACTIVE MIXTURES JOHNSON & JOHNSON VISION CARE (US) 2019-01-09 EP disclosed
EP-2794724-B1 SILICONE HYDROGELS FORMED FROM ZERO DILUENT REACTIVE MIXTURES JOHNSON & JOHNSON VISION CARE (US) 2018-07-18 EP disclosed
EP-2855544-B1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME JOHNSON & JOHNSON VISION CARE (US) 2018-06-20 EP disclosed
EP-3296334-A1 POLYMERS AND NANOGEL MATERIALS AND METHODS FOR MAKING AND USING THE SAME Johnson & Johnson Vision Care Inc. (US) 2018-03-21 EP disclosed
EP-3141933-A1 MEDICAL DEVICES HAVING HOMOGENEOUS CHARGE DENSITY AND METHODS FOR MAKING SAME Johnson & Johnson Vision Care Inc. (US) 2017-03-15 EP disclosed