SCHEMBL11226263

SCHEMBL11226263

CCOC(=O)C=C(C)NC(=S)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
TACR1 P25103 1/20 0.38
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL11226156 0.88 TSHR (0.36) SMN1; SMN2TSHRALDH1A1KDM4EL3MBTL1
SCHEMBL11228783 0.87 PHGDH (0.37) SMN1; SMN2TSHRALDH1A1KDM4ELMNA
SCHEMBL11228781 0.87 PHGDH (0.37) SMN1; SMN2TSHRALDH1A1KDM4ELMNA
SCHEMBL11235406 0.86 MAPT (0.44) SMN1; SMN2TSHRALDH1A1L3MBTL1CRHBP
SCHEMBL11220832 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL11220830 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL11221192 0.81 MAPT (0.44) SMN1; SMN2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL11221194 0.81 MAPT (0.44) SMN1; SMN2ALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL11226260 0.80 SMN1; SMN2 (0.47) SMN1; SMN2TSHRALDH1A1KDM4EHTT
SCHEMBL11280200 0.76 TSHR (0.44) SMN1; SMN2TSHRALDH1A1KDM4EHTT

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