SCHEMBL16495347

SCHEMBL16495347

COC(=O)CCN(C(=O)CC(=O)OC)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 4/20 0.44
CA12 O43570 4/20 0.39
CA14 Q9ULX7 4/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
KDM5A P29375 2/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL7277869 0.85 KMT2A (0.46) KMT2AMEN1TSHRCA12CA14
SCHEMBL22216388 0.81 GAA (0.48) KMT2AMEN1TSHRGAAMGAM
SCHEMBL16495375 0.81 MEN1 (0.42) KMT2AMEN1TSHRCA12CA14
SCHEMBL20126039 0.77 KMT2A (0.44) KMT2AMEN1TSHRCA12CA14
SCHEMBL8395382 0.75 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL17232315 0.75 KMT2A (0.56) KMT2AMEN1TSHRCA12CA14
SCHEMBL5595576 0.74 KMT2A (0.59) KMT2AMEN1TSHRCA12CA14
SCHEMBL16494983 0.74 KMT2A (0.59) KMT2AMEN1TSHRCA12CA14
SCHEMBL18724616 0.73 EPHX2 (0.51) TSHRCA12CA14CA7CA9
Hydrochloric Acid SCHEMBL5595816 0.72 KMT2A (0.63) KMT2AMEN1TSHRCA12CA14

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 EP disclosed