SCHEMBL11226129

SCHEMBL11226129

CCOC(=O)C=C(CCCl)NC(=O)OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.41
TACR1 P25103 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL11226122 1.00 SMN1; SMN2 (0.48) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11229054 0.90 SMN1; SMN2 (0.51) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11229052 0.90 SMN1; SMN2 (0.51) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11220832 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11220830 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11225288 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11225283 0.79 SMN1; SMN2 (0.47) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11224116 0.75 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11224113 0.75 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A
SCHEMBL11219303 0.73 SMN1; SMN2 (0.53) SMN1; SMN2TSHRMAPK1ALDH1A1KMT2A

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