SCHEMBL11280200

SCHEMBL11280200

CCOC(=O)C=C(C)NC(=O)Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL11280199 1.00 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL11220830 0.81 SMN1; SMN2 (0.52) TSHRSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL11220832 0.81 SMN1; SMN2 (0.52) TSHRSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL11226263 0.76 SMN1; SMN2 (0.48) TSHRSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL11226260 0.75 SMN1; SMN2 (0.47) TSHRSMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL11232835 0.73 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL11232836 0.73 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL11235712 0.72 NPC1 (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTGAA
SCHEMBL11235694 0.72 NPC1 (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTGAA
SCHEMBL4154989 0.72 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1HPGDMAPT

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