SCHEMBL11523739

SCHEMBL11523739

CC(C)OC(=O)NC(C(=O)O)=C(NC(=O)OC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ALOX15 P16050 2/20 0.33
GAA P10253 3/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 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
SCHEMBL11523734 1.00 TSHR (0.40) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL11437545 0.82 TSHR (0.50) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL8006377 0.76
SCHEMBL8006379 0.76
SCHEMBL24268019 0.75 TSHR (0.43) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL13063715 0.75 TSHR (0.50) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL3067341 0.75 TSHR (0.43) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL143364 0.71 TSHR (0.50) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL19508782 0.70 TSHR (0.43) TSHRHCAR2SMN1; SMN2HPGDNPC1
SCHEMBL6272695 0.70 TAS2R38 (0.46) TSHRHCAR2SMN1; SMN2HPGDNPC1

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
US-4160866-A CROSSLINKERS FOR NATURAL AND SYNTHETIC RUBBERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 US disclosed