SCHEMBL20144709

SCHEMBL20144709

C[C@H](NC1CCCCC1)C(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
TSHR P16473 2/20 0.53
ADRA2C P18825 2/20 0.53
CHRM2 P08172 1/20 0.53
ADRA1A P35348 1/20 0.53
RGS12 O14924 1/20 0.53
GLA P06280 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR2A P28223 1/20 0.53
THPO P40225 1/20 0.53
GNAI1 P63096 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL20144686 0.98 GAA (0.64) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL4380710 0.95 GAA (0.59) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL11289322 0.80 LMNA (0.48) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL11035989 0.80 GAA (0.62) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL7941232 0.79 GAA (0.55) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL7492151 0.79 GAA (0.55) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL3671016 0.79 GAA (0.96) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL21104687 0.79 GAA (0.96) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL3665297 0.79 GAA (0.96) GAAL3MBTL1CYP3A4CYP2C19TSHR
SCHEMBL28091017 0.79 GAA (0.96) GAAL3MBTL1CYP3A4CYP2C19TSHR

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-2448956-B1 SOLID PHASE PEPTIDE SYNTHESIS OF PEPTIDE ALCOHOLS CENTRE NAT RECH SCIENT (FR) 2018-05-16 EP disclosed