SCHEMBL11234771

SCHEMBL11234771

CCOC(=O)/C(=C(/C)NC(=O)OCc1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 2/20 0.45
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TACR1 P25103 1/20 0.40
CYP19A1 P11511 1/20 0.38
FFAR1 O14842 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL11234775 1.00 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11219306 0.84 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11219303 0.84 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11225283 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11225288 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11226605 0.76 MEN1 (0.47) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11226607 0.76 MEN1 (0.47) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11220830 0.74 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11220832 0.74 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMEN1KMT2AMAPK1
SCHEMBL11227517 0.73 MEN1 (0.48) SMN1; SMN2TSHRMEN1KMT2AMAPK1

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-4358606-A Esters of phenalkyloxycarbonylamino acids ZOECON CORPORATION (US) 1982-11-09 US disclosed