SCHEMBL6852260

SCHEMBL6852260

COc1ccc(OC)c2c(OS(=O)(=O)C(F)(F)F)ccc(OS(=O)(=O)C(F)(F)F)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 3/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
DRD3 P35462 2/20 0.36
CXCR2 P25025 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
S1PR4 O95977 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
S1PR1 P21453 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 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
SCHEMBL8725902 0.85 MAPT (0.42) POLBDRD2DRD3MEN1KMT2A
SCHEMBL29104329 0.83 DRD2 (0.43) MAPK1POLBTSHRDRD2DRD1
SCHEMBL7189697 0.83 SLC40A1 (0.37) TSHRMEN1KMT2AKDM4EMAPT
SCHEMBL6848224 0.82 DRD2 (0.44) MAPK1POLBTSHRDRD2DRD1
SCHEMBL29414143 0.81 CA1 (0.50) MAPK1POLBTSHRDRD2DRD1
SCHEMBL5599606 0.81 CA1 (0.50) MAPK1POLBTSHRDRD2DRD1
SCHEMBL8636736 0.80 IDO1 (0.46)
SCHEMBL6935409 0.79 CA12 (0.55) MAPK1POLBTSHRMEN1KMT2A
SCHEMBL4581096 0.79 ACHE (0.55) MAPK1POLBTSHRMEN1KMT2A
SCHEMBL6938157 0.79 CA12 (0.55) MAPK1POLBTSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799827-B1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-05-12 EP disclosed
US-5786486-A ANTIMICROBIAL, ANTITUMOR AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0799827-A1 ACRYLAMIDE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-10-08 EP disclosed