SCHEMBL27803239

SCHEMBL27803239

C=CNC(=O)OCCC.[SiH4]

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
ACHE P22303 8/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
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
SCHEMBL3686781 0.98
SCHEMBL5924841 0.86 HPGD (0.57) KDM4EACHEHPGDTSHRHCAR2
SCHEMBL11122001 0.84 TSHR (0.41) ACHEHPGDTSHREPHX1ALDH1A1
SCHEMBL7534754 0.82 EPHX1 (0.61) ACHEHPGDTSHRHCAR2EPHX1
SCHEMBL8997419 0.82 EPHX1 (0.61) ACHEHPGDTSHRHCAR2EPHX1
SCHEMBL7534806 0.82 EPHX1 (0.61) ACHEHPGDTSHRHCAR2EPHX1
SCHEMBL3663445 0.82 EPHX1 (0.61) ACHEHPGDTSHRHCAR2EPHX1
SCHEMBL21570869 0.80 TSHR (0.48) ACHEHPGDTSHREPHX1ALDH1A1
SCHEMBL35709 0.80
SCHEMBL21706833 0.79 ACHE (0.32) ACHEHPGDTSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101970516-A Process for forming random (meth) acrylate-containing prepolymers JOHNSON & JOHNSON VISION CARE 2011-02-09 CN disclosed