SCHEMBL16629081

SCHEMBL16629081

C=CCCC[C@@H](C)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ABCC4 O15439 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 3/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.33
DDAH1 O94760 1/20 0.33
FAAH O00519 2/20 0.33
MGLL Q99685 1/20 0.33
CA1 P00915 2/20 0.32
LTA4H P09960 1/20 0.32
CA2 P00918 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
SCHEMBL3123520 1.00 MAPT (0.38) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL8259830 1.00 MAPT (0.38) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3115628 0.94 ALDH1A1 (0.41) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3124070 0.92 ALDH1A1 (0.44) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3120484 0.92 ALDH1A1 (0.44) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL3111810 0.92 ALDH1A1 (0.44) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL2133471 0.87
SCHEMBL3120777 0.81 ALDH1A1 (0.40) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL12113872 0.81 BLM (0.50) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL4329013 0.81 CA1 (0.33) MAPTALDH1A1CA1LTA4HCA2

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
WO-2015051030-A2 STABILIZED POLYPEPTIDES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-04-09 WO disclosed