SCHEMBL8657268

SCHEMBL8657268

CCC1CCC(NC(=O)Cc2ccc(Cl)cc2C)(C(=O)OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.41
ANO1 Q5XXA6 3/20 0.41
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SHMT1 P34896 2/20 0.35
SHMT2 P34897 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ANO2 Q9NQ90 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL8906981 0.90 RECQL (0.42) P2RX7ANO1HDAC3HDAC1HDAC2
SCHEMBL8655612 0.90 P2RX7 (0.43) P2RX7LMNAHPGDSMN1; SMN2SHMT1
SCHEMBL8655545 0.89 ANO1 (0.42) P2RX7ANO1LMNAHPGDSMN1; SMN2
SCHEMBL6474873 0.88 KMT2A (0.41) ANO1LMNA
SCHEMBL8653784 0.88 ANO1 (0.42) P2RX7ANO1LMNAHPGDSMN1; SMN2
SCHEMBL8656926 0.87 ANO1 (0.41) P2RX7ANO1LMNAHPGDSMN1; SMN2
SCHEMBL7958037 0.87 MEN1 (0.42) P2RX7HPGDALDH1A1
SCHEMBL8654200 0.87 ANO1 (0.45) P2RX7ANO1LMNAHPGDSMN1; SMN2
SCHEMBL8652029 0.86 ANO1 (0.43) P2RX7ANO1LMNAHPGDSMN1; SMN2
SCHEMBL8654496 0.85 ANO1 (0.44) P2RX7ANO1LMNAHPGDSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847211-A Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0833856-A1 AROMATIC POLYAMIDES AND POLYESTERS CONTAINING ORTHO-ETHER GROUPS THE UNIVERSITY OF LIVERPOOL (GB) 1998-04-08 EP disclosed
US-5622917-A PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1997000903-A1 AROMATIC POLYAMIDES AND POLYESTERS CONTAINING ORTHO-ETHER GROUPS THE UNIVERSITY OF LIVERPOOL (GB) 1997-01-09 WO disclosed