SCHEMBL22175199

SCHEMBL22175199

CC(C)CCC(=O)NC(C)(C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.40
CA1 P00915 2/20 0.40
P2RX7 Q99572 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SHMT1 P34896 3/20 0.33
SHMT2 P34897 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
PIK3CD O00329 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
KCNJ11 Q14654 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL19110989 0.82 CA1 (0.39) CA1P2RX7ALDH1A1PIK3CDKCNJ11
SCHEMBL9112217 0.82 CA1 (0.39) KDM4CCA1P2RX7ALDH1A1NAALAD2
SCHEMBL9112225 0.82 CA1 (0.39) KDM4CCA1P2RX7ALDH1A1NAALAD2
SCHEMBL17771181 0.81 CA1 (0.44) CA1P2RX7ALDH1A1PIK3CDMMP2
SCHEMBL9088646 0.79 GRM8 (0.48)
SCHEMBL26213602 0.79 KDM4C (0.42) KDM4CALDH1A1SHMT1SHMT2PIK3CD
SCHEMBL15680104 0.79 ALDH1A1 (0.52) KDM4CALDH1A1SHMT1SHMT2NAALAD2
SCHEMBL19750428 0.78 CA1 (0.39) CA1P2RX7ALDH1A1PIK3CD
SCHEMBL20767063 0.78 CA1 (0.35) CA1P2RX7ALDH1A1NAALAD2PIK3CD
SCHEMBL9525579 0.77 ALDH1A1 (0.50) KDM4CALDH1A1SHMT1SHMT2NAALAD2

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
EP-3078656-B1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN INC (US) 2020-07-01 EP disclosed