SCHEMBL8399871

SCHEMBL8399871

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 5/20 0.41
KDM2A Q9Y2K7 5/20 0.41
KDM4E B2RXH2 3/20 0.41
KDM5C P41229 3/20 0.41
EGLN1 Q9GZT9 3/20 0.41
KDM6B O15054 1/20 0.41
FOLH1 Q04609 1/20 0.41
ITGB3 P05106 5/20 0.40
ITGA2B P08514 5/20 0.40
GNPAT O15228 1/20 0.39
MME P08473 4/20 0.38
KDM7A Q6ZMT4 1/20 0.36
LMNA P02545 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
BCHE P06276 1/20 0.34
BMP1 P13497 1/20 0.34

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
SCHEMBL21724532 0.85 HDAC3 (0.39) ITGB3ITGA2BBMP1
SCHEMBL7352377 0.82 ITGB3 (0.36) FOLH1ITGB3ITGA2BBMP1
SCHEMBL3625944 0.80 CYP2D6 (0.44) FOLH1ITGB3ITGA2BLMNA
SCHEMBL21724579 0.80 FAAH (0.51)
SCHEMBL7443684 0.80 CTSC (0.42) ITGB3ITGA2BLMNA
SCHEMBL21724577 0.79 FAAH (0.54)
SCHEMBL21724159 0.79 FAAH (0.54)
SCHEMBL3628190 0.79 KMT2A (0.46) FOLH1ITGB3ITGA2BLMNA
SCHEMBL21724599 0.79 FAAH (0.54)
SCHEMBL3629338 0.79 FOLH1 (0.42) FOLH1ITGB3ITGA2B

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-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US claimed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed