SCHEMBL15435259

SCHEMBL15435259

C=C(C)NC(=O)OCC(C)(CC)CO

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
ADRA1A P35348 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL275045 0.91 TSHR (0.33) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL275046 0.81 ALDH1A1 (0.38) CYP3A4KDM4EPKM
SCHEMBL9566721 0.77 THRB (0.43) TSHRLMNAHSD17B10KDM4EPKM
SCHEMBL14076148 0.76 ALDH1A1 (0.42) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL27745846 0.75 LMNA (0.59) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL9659162 0.72
SCHEMBL5244425 0.71 SMN1; SMN2 (0.42) TSHRLMNACYP3A4NFKB1ADRA1A
SCHEMBL9566741 0.70 ALDH1A1 (0.58) TSHRLMNACYP3A4HSD17B10KDM4E
SCHEMBL13863185 0.70 KDM4E (0.30) KDM4EPKM
SCHEMBL8850612 0.69 LMNA (0.34) LMNAHSD17B10

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
EP-1767995-B1 Method of producing photosensitive planographic printing plate precursor FUJIFILM CORP (JP) 2014-01-22 EP disclosed