SCHEMBL2058865

SCHEMBL2058865

CCCCC(CC)C(=O)NC(C)CC

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.63
CA1 P00915 5/20 0.63
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL11095965 0.86 CA2 (0.66) CA2CA1MAPK1USP2MEN1
SCHEMBL16389960 0.85 CA2 (0.63) CA2CA1MAPK1USP2MEN1
SCHEMBL2058687 0.84 CA2 (0.68) CA2CA1MAPK1USP2MEN1
SCHEMBL27118233 0.83 USP2 (0.52) CA2CA1USP2MEN1ALDH1A1
SCHEMBL13811078 0.83 CA2 (0.53) CA2CA1MAPK1USP2MEN1
SCHEMBL25732354 0.82 CA2 (0.66) CA2CA1MAPK1USP2MEN1
SCHEMBL7981241 0.82 CA2 (0.51) CA2CA1MAPK1ALDH1A1MMP1
SCHEMBL5936918 0.81 CA2 (0.60) CA2CA1MAPK1USP2MEN1
SCHEMBL5279569 0.81 CA2 (0.60) CA2CA1MAPK1USP2MEN1
SCHEMBL353712 0.81 CA2 (0.60) CA2CA1MAPK1USP2MEN1

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-7968750-B2 Process for producing nitrogen-containing compounds KAO CORPORATION (JP) 2011-06-28 US claimed
WO-2023220131-A2 PI3Kα INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2023-11-16 WO disclosed