SCHEMBL7455152

SCHEMBL7455152

CC(C)CC(C(=O)O)n1cnc2cncnc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.42
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DNMT3B Q9UBC3 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HCAR3 P49019 1/20 0.35
USP5 P45974 1/20 0.35
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
HBB P68871 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
LTA4H P09960 1/20 0.32
APAF1 O14727 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
SCHEMBL7451329 0.88 FDPS (0.41) FDPSHDAC1HDAC6DNMT3BIRAK4
SCHEMBL7595395 0.85 FDPS (0.39) FDPSHDAC1HDAC6IRAK4LMNA
SCHEMBL1831228 0.81 USP5 (0.48) FDPSHDAC1HDAC6DNMT3BIRAK4
SCHEMBL7446654 0.81 FDPS (0.42) FDPSHDAC1HDAC6DNMT3BIRAK4
SCHEMBL7456848 0.79 FDPS (0.40) FDPSHDAC1HDAC6DNMT3BIRAK4
SCHEMBL7552107 0.79 HDAC8 (0.48) FDPSHDAC1HDAC6LMNACYP1A2
SCHEMBL7457457 0.79 FDPS (0.42) FDPSHDAC1HDAC6DNMT3BIRAK4
SCHEMBL7453011 0.76 HDAC1 (0.41) FDPSHDAC1HDAC6DNMT3BLMNA
SCHEMBL7450504 0.75 FDPS (0.41) FDPSHDAC1HDAC6LMNACYP1A2
SCHEMBL28038040 0.74 FDPS (0.43) FDPSHDAC1HDAC6DNMT3BIRAK4

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
EP-0920430-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-09 EP disclosed
WO-1998007725-A1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed