SCHEMBL8895202

SCHEMBL8895202

CC[C@H](C)[C@@H](C(=O)CC(O)C(=O)OC(C)(C)C)N(C)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AKT1 P31749 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
RIPK1 Q13546 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KLK5 Q9Y337 1/20 0.37
SYK P43405 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL8894248 0.87 ALDH1A1 (0.32) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8895474 0.86 MEN1 (0.43) ALDH1A1AKT1KDM4EATMRIPK1
SCHEMBL8894581 0.84 MEN1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8707554 0.82 CTSL (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8896038 0.79 ALDH1A1 (0.34) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8895198 0.78 AKT1 (0.39) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL8893220 0.78 ALDH1A1 (0.33) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL5564821 0.77 LMNA (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL7781713 0.77 LMNA (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL5564818 0.77 LMNA (0.51) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed