SCHEMBL10704385

SCHEMBL10704385

CC(C)C[C@@H](CC1CO1)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.36
PLA2G10 O15496 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CAPN9 O14815 1/20 0.32
CAPN1 P07384 1/20 0.32
CTSB P07858 1/20 0.32
MAPK1 P28482 1/20 0.32
CTSK P43235 1/20 0.32
MME P08473 3/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL10704379 1.00 CPA1 (0.36) CPA1PLA2G10ALDH1A1MEN1LMNA
SCHEMBL10704375 1.00 CPA1 (0.36) CPA1PLA2G10ALDH1A1MEN1LMNA
SCHEMBL25291547 0.75 ALDH1A1 (0.42) PLA2G10ALDH1A1MEN1LMNAKMT2A
SCHEMBL27651567 0.75 ALDH1A1 (0.42) PLA2G10ALDH1A1MEN1LMNAKMT2A
SCHEMBL3306198 0.75 ALDH1A1 (0.42) PLA2G10ALDH1A1MEN1LMNAKMT2A
Benzene SCHEMBL28850626 0.72 CNR1 (0.43) ALDH1A1MEN1LMNAKMT2AMAPK1
SCHEMBL26965341 0.72 PLA2G10 (0.42) PLA2G10ALDH1A1MEN1LMNAKMT2A
SCHEMBL27120254 0.72 PLA2G10 (0.42) PLA2G10ALDH1A1MEN1LMNAKMT2A
SCHEMBL4436363 0.71 CPA1 (0.38) CPA1ALDH1A1MEN1LMNAKMT2A
SCHEMBL4436371 0.71 CPA1 (0.38) CPA1ALDH1A1MEN1LMNAKMT2A

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
US-4749781-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1988-06-07 US disclosed
EP-0223437-A2 Aminocarbonyl renin inhibitors E.R. Squibb & Sons, Inc. (US) 1987-05-27 EP disclosed