SCHEMBL11045012

SCHEMBL11045012

CCCCOC(=O)CN(C(C)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 6/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL5808788 0.91 LMNA (0.47) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5807041 0.84 SMN1; SMN2 (0.60) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL10525505 0.83 TSHR (0.51) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL4459514 0.83 TSHR (0.51) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL9078631 0.79 TDP1 (0.50) TSHRTDP1L3MBTL1MEN1KMT2A
SCHEMBL5353769 0.78 ALDH1A1 (0.51) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL5809076 0.78 ESR1 (0.49) TSHRTDP1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6717574 0.78 TSHR (0.49) TSHRTDP1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL6908413 0.77 LMNA (0.40) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL817611 0.76 NPC1 (0.59) TSHRL3MBTL1MEN1KMT2ASMN1; SMN2

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-4439524-A Stereoselective resolution of phenylglycine derivatives with enzyme resins BAYER AKTIENGESELLSCHAFT (DE) 1984-03-27 US disclosed