SCHEMBL9385346

SCHEMBL9385346

O=[C][C@@H](CCCc1ccccc1)NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.50
METAP2 P50579 1/20 0.50
DRD4 P21917 3/20 0.48
PIN1 Q13526 6/20 0.48
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
CCKBR P32239 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7462665 0.85 HDAC3 (0.55) HDAC1PIN1CCKBRMEN1KMT2A
SCHEMBL9389507 0.84 KMT2A (0.44) HDAC1PIN1HTTMAPTMEN1
SCHEMBL9388771 0.84 PADI4 (0.49) HDAC1MAPT
SCHEMBL9385513 0.84 KMT2A (0.51) HDAC1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL9388240 0.82 SMN1; SMN2 (0.50) HDAC1HTTKDM4EMEN1KMT2A
SCHEMBL9385748 0.82 NPC1 (0.53) HDAC1HTTKDM4EMEN1KMT2A
SCHEMBL9389538 0.82 NPC1 (0.58) HDAC1HTTKDM4EMEN1KMT2A
SCHEMBL9385616 0.82 HPGD (0.44) HDAC1HTTKDM4EMAPTMEN1
SCHEMBL9387960 0.82 CTSL (0.48) HDAC1MEN1KMT2ASMN1; SMN2
SCHEMBL9384648 0.82 METAP2 (0.51) METAP2KDM4EMEN1KMT2A

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-1994007815-A2 SMALL PEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1994-04-14 WO claimed